Metabolism

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  1. Endoplasmic Reticulum α-glucosidase II (GluII) Inhibitor

    ToP-DNJ is a specific inhibitor of endoplasmic reticulum α-glucosidase II (GluII), demonstrating an IC50 value of 9.0 μM. It selectively interferes with both catalytic reactions of GluII, showing enhanced activity in the initial conversion of di-glycosylated to mono-glycosylated glycans. Additionally, ToP-DNJ exhibits anti-DENV activity, making it a valuable tool for research into dengue virus infection and related glycobiology studies.
  2. Influenza Viru Inhibitor

    SP187 hydrochloride is a host-targeting iminosaccharide that primarily inhibits endoplasmic reticulum glucosidase, rendering it effective against filovirus infections. This compound demonstrates antiviral activity, notably against the Dengue virus, in vivo. SP187 hydrochloride is a valuable tool for researchers investigating antiviral mechanisms and developing therapeutic strategies against viral infections.
  3. Glucosidase Inhibitor

    Ganoderic acid Y is an α-glucosidase inhibitor, exhibiting an IC50 of 170 μM against yeast α-glucosidase. This compound demonstrates antiviral properties by inhibiting the replication of enterovirus 71 (EV71) through the disruption of the virus uncoating process. Ganoderic acid Y is relevant for research applications investigating glycosidase activity and antiviral strategies.
  4. Anti-oxidant, Lipid Peroxidation/5-lipoxygenase Inhibitor

    LY221068 is a potent inhibitor of iron-dependent lipid peroxidation and 5-lipoxygenase, exhibiting notable antioxidant properties. This compound demonstrates significant anti-inflammatory activity, particularly in preclinical models of arthritis, such as the Freund's Complete Adjuvant-induced arthritis model in rats, where it effectively reduces bone damage and paw swelling. LY221068 serves as a valuable tool for investigating inflammatory processes and potential therapeutic approaches in arthritis research.
  5. MAO-A Inhibitor

    Pirlindole mesylate is a selective and reversible inhibitor of monoamine oxidase A (MAO-A), playing a crucial role in the modulation of neurotransmitter metabolism. Additionally, Pirlindole exhibits antiviral activity against enterovirus D68 and coxsackievirus B3 (CV-B3), positioning it as a potential agent in virology research. This compound is valuable for studies focusing on depression, anxiety disorders, and the therapeutic mechanisms of neuronal regulation and viral infections.
  6. FXR Agonist

    Vonafexor is a selective agonist of the farnesoid X receptor (FXR), offering an oral bioavailability profile. This compound has demonstrated substantial reductions in HBsAg levels when used in conjunction with Peg-IFNα. Vonafexor is primarily employed in anti-HBV research, making it a valuable reagent for studies focused on hepatitis B virus therapies.
  7. Herbicide

    Cyprosulfamide is a herbicide that targets salinity stress in plants, enhancing their growth and resilience. It promotes vigorous development, including the formation of new tillers and early flowering, making it a valuable tool in agricultural research aimed at improving crop tolerance to unfavorable environmental conditions. This compound is useful for studies focused on plant physiology and stress response mechanisms.
  8. CYP1A1 Inhibitor

    CYP1A1-IN-1 is a selective inhibitor of cytochrome P4501A1 (CYP1A1). This compound has demonstrated the ability to reduce bacterial loads of methicillin-resistant Staphylococcus aureus (MRSA) and Acinetobacter baumannii through the enhancement of macrophage phagocytosis. CYP1A1-IN-1 holds potential for advancing research in sepsis associated with multidrug-resistant (MDR) bacterial infections.
  9. Insect Pheromone

    Caprazene is an insect pheromone precursor that plays a critical role in the development of semi-synthetic antibacterial antibiotics. This compound exhibits significant antimycobacterial activity, making it valuable for research on tuberculosis and Mycobacterium avium complex infections. Its ability to be isolated from the acid-treated caprazamycin (CPZ) A-G mixture enhances its utility in studying the mechanisms of bacterial resistance and developing effective therapeutic strategies.
  10. Gatifloxacin Derivative

    3-Desmethyl Gatifloxacin is a derivative of Gatifloxacin that primarily targets bacterial DNA gyrase, inducing DNA cleavage. This compound is particularly useful in the study of gatifloxacin resistance, including in Quinolone-resistant mutants, making it a valuable tool for research on mechanisms of drug resistance in bacterial pathogens.
  11. Fungal Metabolite

    Ophiobolin H is a fungal metabolite derived from Aspergillus ustus, demonstrating potent inhibitory activity against Bacillus subtilis. This compound also induces hyperacusia in day-old chicks at doses up to 375 mg/kg. Its unique biological properties make Ophiobolin H a valuable tool in research focusing on fungal metabolites and their effects on bacterial growth and sensory responses.
  12. Insect Pheromone

    11-Octadecenal is a volatile aldehyde known for its role as an insect pheromone. Primarily associated with attracting male wax moths (Achroia grisella), this compound exhibits significant biological activity in communication and mating behaviors within certain insect species. It serves useful applications in entomological research and the development of synthetic sex pheromones for pest management.
  13. Antimicrobial Peptide

    Cathepsin G(1-5) is an antimicrobial peptide derived from the clostripain-digested cathepsin G mixture. This peptide exhibits significant antimicrobial activity, making it valuable for research on host defense mechanisms and the development of novel therapeutic agents. Cathepsin G(1-5) is utilized in studies exploring its effects on bacterial pathogens and potential applications in infection control.
  14. DHFR Inhibitor

    N-Didesmethyladitoprim is a metabolite of the selective bacterial dihydrofolate reductase (DHFR) inhibitor, Aditoprime. This compound effectively inhibits the conversion of dihydrofolic acid to tetrahydrofolic acid, demonstrating an IC50 of 47 nM against E. coli and 520 nM against L. casei DHFR. N-Didesmethyladitoprim exhibits broad-spectrum antibacterial activity and possesses favorable pharmacokinetic properties, making it a valuable tool for research in antimicrobial mechanisms and DHFR inhibition studies.
  15. DHFR Inhibitor

    NSC309401 is a potent inhibitor of dihydrofolate reductase (DHFR) from E. coli, exhibiting an IC50 value of 189 nM and a KD of 14.57 nM. This compound is essential for studying folate metabolism and can be utilized in research applications related to antimicrobial drug development and cancer therapeutics. Its specificity for DHFR makes it a valuable tool for elucidating the biochemical pathways influenced by folate synthesis.
  16. DHFR Inhibitor

    DHFR-IN-10 is a potent inhibitor of dihydrofolate reductase (DHFR), exhibiting an IC50 of 4.21 μM against M. tuberculosis DHFR. This compound demonstrates significant antituberculosis efficacy, making it a valuable tool in research focused on combating tuberculosis and studying DHFR-related pathways. Its effectiveness positions DHFR-IN-10 as a potential lead candidate for further development in anti-tubercular drug discovery.
  17. Herbicide

    Bilanafos is an organic phosphine tripeptide antibiotic that exerts its effects by targeting and inhibiting protein synthesis in susceptible microorganisms. This herbicide demonstrates significant antimicrobial activity against both Gram-positive and Gram-negative bacteria, as well as providing efficacy against various fungal plant pathogens. Bilanafos is utilized in agricultural research for developing effective strategies against microbial plant diseases.
  18. DHFR Inhibitor

    NSC309401 dihydrochloride is a selective inhibitor of dihydrofolate reductase (DHFR) from Escherichia coli, exhibiting an IC50 of 189 nM and a KD of 14.57 nM. This compound is primarily utilized in studies focused on microbial metabolism and antibiotic resistance. Its potent inhibition of DHFR makes it a valuable tool in researching folate biosynthesis pathways and developing novel therapeutic agents.
  19. Factor Xa Inhibitor

    ChloraMine-T hydrate is a selective Factor Xa inhibitor known for its utility in synthetic chemistry. It serves as a versatile reagent in aminohydroxylation and allylic amination reactions, functioning as a nitrogen source in the aziridination of alkenes and facilitating the deprotection of sulfur groups in thiol-containing compounds. Additionally, ChloraMine-T hydrate exhibits antimicrobial properties, demonstrating efficacy against various bacterial strains, including Staphylococcus epidermidis, Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Proteus mirabilis, and Enterococcus cloacae, making it valuable for applications in both enzymatic inhibition studies and antimicrobial research.
  20. DGAT Inhibitor

    1-Methyl-2-[(4Z,7Z)-4,7-tridecadienyl]-4(1H)-quinolone is a diacylglycerol acyltransferase (DGAT) inhibitor, demonstrating an IC50 of 20.1 μM. Additionally, it acts as an angiotensin II receptor blocker with an IC50 of 34.1 μM. This compound exhibits significant anti-Helicobacter pylori activity, with a minimum inhibitory concentration (MIC) of 10 μg/mL, making it valuable for studies investigating lipid metabolism and bacterial infections.
  21. Fungal Metabolite

    BE 24566B is a polyketide fungal metabolite that acts as an endothelin receptor antagonist, targeting both ETA and ETB receptors with IC50 values of 11 μM and 3.9 μM, respectively. This compound demonstrates antibacterial activity against a range of Gram-positive bacteria, including B. subtilis, B. cereus, S. aureus, M. luteus, E. faecalis, and S. thermophilus, with reported MICs of 1.56 μg/mL for five of these species and 3.13 μg/mL for E. faecalis and S. thermophilus. BE 24566B is valuable for research applications in antimicrobial studies and receptor pharmacology.
  22. Cholecystokinin Receptor Antagonist

    A-65186 is a cholecystokinin (CCK) A receptor antagonist that effectively inhibits CCK8-induced amylase secretion. This compound exhibits high binding affinity for pancreatic CCK-A receptors and demonstrates over 500-fold selectivity for CCK-A over CCK-B receptors. It serves as a valuable tool in research focused on gastrointestinal physiology and the role of CCK signaling in pancreatic function.
  23. CCK-A Receptor Agonist

    A71378 is a selective CCK-A receptor agonist with an IC50 of 0.4 nM for the pancreatic CCK-A receptor, and significantly higher IC50 values for the cortical CCK-B and gastrin receptors at 300 nM and 1,200 nM, respectively. This compound effectively stimulates pancreatic amylase secretion with an EC50 of 0.16 nM and induces ileal muscle contraction with an EC50 of 3.7 nM. A71378 is valuable for research applications focusing on gastrointestinal pharmacology and the role of CCK-A receptors in digestive processes.
  24. CCK-4 Analog

    A-70874 is a tyrosine-free tetrapeptide analog of cholecystokinin (CCK-4), acting as an agonist for pancreatic amylase release. It also serves as a partial agonist, promoting phosphoinositide decomposition in pancreatic cells. With an IC50 of 4.9 nM for the guinea pig pancreatic CCK receptor, A-70874 shows a notable affinity of 1.6 μM for the CCK-B/gastrin receptor. This compound is valuable for investigating the physiological roles of CCK receptors in both the digestive system and the central nervous system.
  25. Phospholipase D Inhibitor

    Halopemide is a potent inhibitor of phospholipase D (PLD), exhibiting IC50 values of 220 nM for human PLD1 and 310 nM for PLD2. In addition to its enzymatic inhibition, Halopemide functions as a dopamine receptor antagonist and exhibits psychotropic properties. This reagent is valuable for research applications exploring PLD-mediated signaling pathways and dopamine receptor interactions in various biological contexts.
  26. MAO Inhibitor

    9-Methyl-β-carboline is a potent monoamine oxidase (MAO) inhibitor, demonstrating an IC50 of 1 μM for human MAO-A and 15.5 μM for human MAO-B. This compound shows significant potential for cognitive enhancement by increasing dopamine levels through its inhibition of MAO activity and modulation of microglial proliferation. Additionally, 9-Methyl-β-carboline activates signaling pathways such as PKA/PKC and influences mitochondrial respiratory function, contributing to neuroprotection and the reduction of α-synuclein levels. It is particularly relevant in research focusing on Parkinson's disease, given its neurotrophic effects and ability to counteract neurotoxin-induced dopaminergic neuron damage.
  27. Endogenous Metabolite

    Amylin (IAPP), feline is a 37-amino acid polypeptide that serves as an endogenous metabolite derived from feline sources. This regulatory peptide is primarily secreted by the β-cells of the pancreatic islets, where it plays a crucial role in glucose homeostasis by inhibiting the secretion of insulin and glucagon. Its unique biological activity makes it a valuable tool for research on metabolic disorders and endocrine function in feline models.
  28. GRP/BN receptor Antagonist

    BIM-26226 is a selective antagonist of the gastrin-releasing peptide receptor (GRPR) and bombesin (BN) receptor, exhibiting an IC50 of 6 nM. This compound effectively inhibits BN- or GRP-stimulated amylase release with IC50 values of 0.3 nM and 0.2 nM, respectively. BIM-26226 shows high specificity for the GRP-preferring BN receptor subtype and does not interfere with the GRP receptor system. Additionally, it can induce the synthesis of somatostatin receptors while demonstrating no significant effect on tumor growth, making it valuable for research into neuropeptide signaling and related biological pathways.
  29. GRP/Bombesin Receptor 2 Antagonist

    ICI 216140 is a potent GRP/bombesin receptor 2 antagonist with an IC50 value of 2 nM. This compound effectively inhibits Bombesin-stimulated pancreatic amylase secretion and mitigates Bombesin-induced increases in blood pressure. ICI 216140 is valuable for research into the physiological roles of bombesin receptors and their implications in various pathophysiological conditions.
  30. Bombesin Receptor Antagonist

    [D-Phe12]-Bombesin is a bombesin receptor antagonist with a Ki value of 4.7 μM. This compound effectively inhibits bombesin-induced amylase release, exhibiting an IC50 of 4 μM. It is valuable for research applications exploring the role of bombesin receptors in physiological and pathological processes, particularly in studies related to neuroendocrine signaling and cancer biology.
  31. CB2R/FAAH Modulator

    CB2R/FAAH modulator-3 is a dual-targeting compound that functions as an agonist of the cannabinoid receptor type 2 (CB2R) and an inhibitor of fatty acid amide hydrolase (FAAH). It exhibits Ki values of 20.1 nM for CB2R and 67.6 nM for CB1R, with an IC50 of 3.4 μM for FAAH. This modulator is valuable for research into cancer biology, inflammatory processes associated with neurodegenerative diseases, and potential therapeutic approaches for COVID-19.
  32. CB/FAAH Inhibitor

    Isopropyl dodec-11-enylfluorophosphonate (IDEFP) is a potent inhibitor of the central cannabinoid receptor (CB1) and fatty acid amide hydrolase (FAAH), exhibiting similar inhibitory activities with IC50 values around 2 nM. It serves as a valuable tool for investigating cannabinoid signaling pathways and lipid metabolism in various biological contexts. Researchers utilize IDEFP to explore the therapeutic potential of modulating endocannabinoid systems in pain, inflammation, and neuroprotection studies.
  33. CETP Inhibitor/CB1 Agonist

    BI-5756 is a selective CETP inhibitor and cannabinoid receptor 1 (CB1) agonist. It promotes a significant increase in HDL-C levels while reducing LDL-C levels, thereby improving lipid profiles. Additionally, BI-5756 enhances the function of regulatory T cells and preserves T cell-mediated anti-tumor activity, exhibiting direct anti-proliferative effects on tumor cells. This compound also upregulates the expression of MHC I, MHC II, and CD80 on tumor cells and demonstrates protective effects in graft-versus-host disease. BI-5756 is applicable in research related to oncology, graft-versus-host disease, and metabolic disorders.
  34. CB2R/FAAH Modulator

    CB2R/FAAH modulator-2 is a dual-targeting modulator that functions as an agonist of the cannabinoid receptor 2 (CB2R) and an inhibitor of fatty acid amide hydrolase (FAAH). It exhibits Ki values of 10.8 nM for CB2R and 152.9 nM for CB1R, with an IC50 of 6.2 μM for FAAH. This compound is suitable for investigating therapeutic applications in cancer, neurodegenerative diseases characterized by inflammatory processes, and potential impacts on COVID-19 infection pathways.
  35. CB2R Agonist/FAAH Inhibitor

    CB2R/FAAH modulator-1 is a potent full agonist of the cannabinoid type 2 receptor (CB2R), exhibiting a binding affinity with a Ki of 14.8 nM for CB2R and 241.3 nM for CB1R. This compound also serves as an inhibitor of fatty acid amide hydrolase (FAAH), demonstrating an IC50 of 4 μM. CB2R/FAAH modulator-1 is effective in modulating cytokine production by decreasing pro-inflammatory cytokines while enhancing anti-inflammatory cytokine levels, making it valuable for research in inflammation and pain modulation.
  36. Endogenous Metabolite

    Phosphorylcholine, an endogenous metabolite, is a key component of many biological membranes, particularly in eukaryotic cells. It plays a crucial role in cell signaling and immune modulation, influencing both the host and microbial interactions in the microbiome. Due to its diverse immunomodulatory properties, phosphorylcholine is valuable in research applications related to immunology, microbiology, and cell biology.
  37. Endogenous Metabolite

    Phosphorylcholine chloride is an endogenous metabolite primarily involved in the formation of phospholipid membranes in eukaryotic biofilms. Found in both commensal and pathogenic bacteria, it plays a crucial role in host-microbe interactions. This compound exhibits diverse immunomodulatory effects, making it valuable for research in immunology and cellular signaling pathways.
  38. PNMT Inhibitor

    1-(2,3-Dichlorophenyl)ethanamine hydrochloride is a selective inhibitor of phenylethanolamine N-methyltransferase (PNMT). This compound effectively lowers blood pressure in spontaneously hypertensive models, making it a valuable tool for studying hypertension and its mechanisms. Researchers can utilize 1-(2,3-Dichlorophenyl)ethanamine hydrochloride to investigate the role of PNMT in blood pressure regulation and explore potential therapeutic avenues for hypertensive disorders.
  39. MAO Inhibitor

    Harmane hydrochloride is a monoamine oxidase (MAO) inhibitor that exhibits multiple biological activities. It demonstrates significant inhibition of MAO-A and MAO-B, with IC50 values of 0.5 μM and 5 μM, respectively. This compound has been shown to possess antidepressant, anti-anxiety, anticonvulsant, and analgesic properties, making it valuable in neuropharmacological research. Additionally, Harmane hydrochloride can influence tyrosine hydroxylase activity, impacting dopamine biosynthesis and enhancing cytotoxicity induced by L-DOPA in in vitro models. Its mutagenic potential is also notable, particularly in conjunction with 2-acetylaminofluorene.
  40. PNMT Inhibitor

    LY 78335 is a potent inhibitor of phenylethanolamine-N-methyltransferase (PNMT) with a Ki value of 0.09 μM. This compound also functions as an α₂-adrenoceptor antagonist, exhibiting an IC50 of 10 μM. Research indicates that LY 78335 enhances spontaneous locomotor activity in rat models and elevates the extracellular concentration of 3-methoxy-4-hydroxyphenylglycol (MHPG) in the hypothalamus. Additionally, it has been shown to inhibit growth hormone secretion, making LY 78335 a valuable tool for studies related to depression and neuroendocrine function.
  41. Endogenous Metabolite

    1-Hydroxypyrene serves as a primary endogenous metabolite and biomarker for exposure to polycyclic aromatic hydrocarbons (PAHs), particularly pyrenes. This compound is analyzed in urine samples to assess environmental and occupational exposure. Additionally, 1-Hydroxypyrene acts as an orally active agonist of the aryl hydrocarbon receptor (AhR), which is implicated in various biological processes, including renal fibrosis. Its significance in toxicological studies makes it a valuable reagent for research applications.
  42. LOX Inhibitor

    SNT-5382 is a potent lysyl oxidase (LOX) inhibitor, designed to disrupt the enzymatic activity of LOX, which plays a critical role in extracellular matrix remodeling. This compound demonstrates significant biological activity in inhibiting tumor progression and metastasis, making it a valuable tool for cancer research. SNT-5382 can be utilized in various studies aimed at understanding the implications of LOX in malignancies and assessing potential therapeutic strategies.
  43. 11β-HSD1 Inhibitor

    11β-HSD1-IN-25 is a selective inhibitor of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1). This compound effectively reduces glucocorticoid levels both in vitro and in serum, while also diminishing lipid accumulation in various models. It modulates lipid metabolism through dual mechanisms involving the inhibition of 11β-HSD1 and activation of the AMP-activated protein kinase (AMPK) signaling pathway. 11β-HSD1-IN-25 is suitable for research applications focused on obesity and related metabolic disorders.
  44. SREBPs/microRNA 33a/b Inhibitor

    Pseudoprotodioscin is a furostanoside that inhibits Sterol Regulatory Element-Binding Proteins (SREBPs) and microRNA 33a/b. This inhibition leads to a reduction in the gene expression involved in cholesterol and triglyceride synthesis. Pseudoprotodioscin is valuable for research on lipid metabolism and related cardiovascular diseases.
  45. AhR Agonist

    Norisoboldine hydrochloride is an orally active agonist of the aryl hydrocarbon receptor (AhR). This natural isoquinoline alkaloid, predominantly found in Radix Linderae, demonstrates significant biological activity relevant to inflammatory disorders. It is particularly valuable for research related to rheumatoid arthritis and ulcerative colitis.
  46. A2AAR/hMAO-B Inhibitor

    A2AAR/hMAO-B-IN-1 is a non-xanthine dual-target inhibitor that selectively inhibits the A2A adenosine receptor (A2AAR) with an IC50 of 34.9 nM, and human monoamine oxidase B (MAO-B) with a Ki of 39.5 nM. The compound effectively disrupts A2AAR-mediated cAMP accumulation and demonstrates competitive, reversible inhibition of MAO-B. A2AAR/hMAO-B-IN-1 is suitable for research applications in neurodegenerative diseases, particularly in the study of Parkinson's disease (PD).
  47. Endogenous Metabolite

    Phenylpyruvic acid sodium is an endogenous metabolite that acts primarily as a precursor in the synthesis of 3-phenyllactic acid via lactate dehydrogenase. It exhibits notable antifungal properties, enhancing the activity of multiple lactic acid bacterial strains against fungal contaminants such as Aspergillus niger and Penicillium roqueforti. Additionally, phenylpyruvic acid sodium influences enzymatic activity in the pentose phosphate pathway, notably reducing glucose-6-phosphate dehydrogenase activity in rat brain homogenates, making it a valuable reagent for research in metabolic and antifungal studies.
  48. Endogenous Metabolite

    Nicotinamide riboside malate is an endogenous metabolite that acts as an orally active precursor of NAD+. This compound is known to elevate NAD+ levels and activate sirtuin enzymes SIRT1 and SIRT3, playing a crucial role in enhancing oxidative metabolism. Additionally, nicotinamide riboside malate has demonstrated protective effects against metabolic disorders induced by high-fat diets and mitigates cognitive decline in transgenic mouse models of Alzheimer’s disease. It serves as a valuable tool for research into metabolic health and neurodegeneration.
  49. Endogenous Metabolite

    Nicotinamide riboside tartrate serves as an orally bioavailable precursor of NAD+, primarily targeting the enhancement of NAD+ levels. It activates sirtuins SIRT1 and SIRT3, contributing to increased oxidative metabolism and protection against metabolic disturbances linked to high-fat diets. In preclinical studies, nicotinamide riboside tartrate has demonstrated potential in mitigating cognitive decline in transgenic mouse models of Alzheimer’s disease, underscoring its relevance in neurodegenerative research and metabolic health exploration.
  50. CypD Inhibitor

    CypD-IN-5 is a selective inhibitor of cyclophilin D (CypD), a key regulator of mitochondrial permeability transition. This compound demonstrates significant potential in modulating mitochondrial function and may be particularly useful in studying neurodegenerative diseases such as Alzheimer's disease. Its application in research focuses on understanding the role of CypD in cellular stress responses and the underlying mechanisms of neurodegeneration.

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