Drug Metabolite

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  1. SMND-309 is a metabolite of salvianolic acid B, and exhibits neuroprotective effects in cultured neurons and in permanent middle cerebral artery occlusion rats.
  2. Berberrubine chloride is an active metabolite of berberine, attenuates ulcerative colitis in mice model.
  3. α-Hydroxytamoxifen is a metabolite of tamoxifen, reacts with DNA in the absence of metabolizing enzymes, and causes formation of DNA adducts.
  4. Vanilpyruvic acid is a catecholamine metabolite and precursor to vanillactic acid.
  5. Cyhalofop(Cyhalofop acid) is a recently registered herbicide from the aryloxyphenoxy propionate group in India to control a wide range of grass weed species at various growth stages in rice crop.
  6. Desbutyl Lumefantrine D9 is the deuterium labeled euterium labeled, which is a metabolite of Lumefantrine.
  7. marine xenobiotic metabolite

    Imidacloprid-urea with a role as a marine xenobiotic metabolite, is the primary imidacloprid soil metabolite, whereas imidacloprid-olefin is the main plant-relevant metabolite and is more toxic to insects than imidacloprid.
  8. Potassium Channel inhibitor

    Acecainide, also known as N-acetylprocainamide and ASL 601, is the N-acetylated metabolite of procainamide. Acecainide is a Class III antiarrhythmic agent. It can be given either intravenously or orally, and is eliminated primarily by renal excretion.
  9. Drug Metabolite

    Homovanillyl alcohol is a biological metabolite of Hydroxytyrosol, a phenolic compound found in virgin olive oil and wine. It exhibits notable antioxidant properties, offering protection to red blood cells from oxidative stress. Additionally, Homovanillyl alcohol has implications in cardiovascular disease research, making it a valuable compound for studying oxidative damage and potential therapeutic interventions.
  10. Drug Metabolite

    BMY 28674 (6-Hydroxybuspirone) is a significant drug metabolite of the anxiolytic agent buspirone, primarily metabolized by CYP3A4. This compound exhibits selective binding to the serotonin receptor subtype 5-HT1A in the rat hippocampus and dorsal raphe, with effective concentrations (EC50s) of 4 μM and 1 μM, respectively. Additionally, BMY 28674 acts as an antagonist at dopamine D2, D3, and D4 receptors, demonstrating inhibitory constants (IC50s) of 3.1 μM, 4.9 μM, and 0.85 μM, respectively. Moreover, it inhibits the activity of organic cation transporters OCT1, OCT2, and OCT3 in human proximal tubule cells in a concentration-dependent manner, making it relevant for pharmacological studies involving these receptors and transporters.
  11. Drug Metabolite

    3-O-Methyltolcapone is a drug metabolite derived from Tolcapone, a selective and potent inhibitor of catechol-O-methyltransferase (COMT) with an IC50 of 773 nM. This compound is known to block α-synuclein and Aβ42 oligomerization and fibrillogenesis, while also inducing oxidative stress, apoptosis in cancer cells, and reactive oxygen species (ROS) production. Research applications include studies related to cancer and neurological disorders, particularly in the context of Parkinson’s disease and neuroblastoma.
  12. Drug Metabolite

    4-Hydroperoxy cyclophosphamide is an active metabolite of the precursor cyclophosphamide, primarily targeting DNA cross-linking. This compound induces T cell apoptosis through a caspase-independent mechanism and can activate the mitochondrial death pathway via reactive oxygen species (ROS) generation. It is valuable for research applications in studying mechanisms underlying rheumatoid arthritis and other autoimmune diseases.
  13. Drug Metabolite

    3-Phenoxybenzoic acid is a key metabolite of pyrethroid insecticides. This compound has been shown to induce immunotoxicity and oxidative stress, while also inhibiting the phagocytic capacity of macrophages. Its biological activities make it a pertinent tool for research into the immunological effects of pesticide metabolites.
  14. Drug Metabolite

    p,p'-DDD (4,4'-DDD) is an organochlorine insecticide and a significant metabolite of p,p'-DDT, functioning primarily as an agonist of estrogen receptors α and β (ERα and ERβ). This compound has been shown to increase DNA damage, promote apoptosis, and induce necrosis in peripheral blood cells. Additionally, p,p'-DDD stimulates cell proliferation in SKBR3 breast cancer cells and activates the AP-1 transcription factor. Research also indicates that it can reduce sleep durations induced by barbiturates and steroids in rodent models.
  15. Drug Metabolite

    3-O-Methyltolcapone-d4 is a deuterium-labeled metabolite of Tolcapone, which serves as a selective and potent inhibitor of catechol-O-methyltransferase (COMT) with an IC50 of 773 nM. This compound is utilized in research focused on cancer and neurological disorders, including Parkinson's disease and neuroblastoma, due to its ability to inhibit α-synuclein and Aβ42 oligomerization, promote oxidative stress, and induce apoptosis in cancer cells. 3-O-Methyltolcapone-d4 provides a valuable tool for studying the metabolic pathways of Tolcapone and its therapeutic implications.
  16. Drug Metabolite

    Tolcapone 3-β-D-glucuronide is a drug metabolite derived from Tolcapone, which serves as a selective and potent inhibitor of catechol-O-methyltransferase (COMT). While Tolcapone exhibits notable pharmacological activity, Tolcapone 3-β-D-glucuronide itself is pharmacologically inactive. Research indicates that Tolcapone plays a role in inhibiting α-synuclein and Aβ42 oligomerization, contributing to oxidative stress, cancer cell apoptosis, and reactive oxygen species (ROS) production. This metabolite is valuable for investigations into cancer mechanisms and neurological disorders, including Parkinson's disease and neuroblastoma.
  17. Drug Metabolite

    3-O-Methyldopa is a metabolite of L-DOPA that can effectively cross the blood-brain barrier. This compound has been shown to inhibit the astrocyte-mediated protective effects of L-DOPA on dopaminergic neurons, offering insights into its role in neurobiology. Additionally, 3-O-Methyldopa exhibits antidepressant and neuroprotective properties, making it a valuable tool for research into nervous system disorders, including depression and Parkinson's disease.
  18. Drug Metabolite

    Regorafénib N-oxyde (M2) is an active metabolite of Regorafenib, functioning as a multi-target inhibitor. It effectively targets VEGFR1/2/3, PDGFRβ, Kit, RET, and Raf-1, exhibiting IC50 values of 13, 4.2, 46, 22, 7, 1.5, and 2.5 nM, respectively. This compound is essential for studies involving cancer research and drug metabolism, providing insights into the pharmacological effects and therapeutic potential of Regorafenib.
  19. Drug Metabolite

    OR-1855 is an active metabolite of Levosimendan that primarily targets myometrial contractility. It demonstrates anti-inflammatory properties by inhibiting IL-1β-induced reactive oxygen species (ROS) formation and NAD(P)H oxidase-dependent superoxide radical generation in human umbilical vein endothelial cells (HUVECs). Furthermore, OR-1855 suppresses IL-1β-induced phosphorylation of key signaling molecules, including p38 MAPK, ERK1/2, c-Jun, and JNK. This compound is valuable for research focused on inflammation and related biological processes.
  20. Drug Metabolite

    Cyslopentenyl cytosine triphosphoric is a bioactive metabolite of the nucleoside analogue cyclopentenyl cytosine (CPEC) that primarily targets CTP synthetase. This compound effectively inhibits CTP synthetase activity, leading to a depletion of cytidine nucleotide pools. Cyslopentenyl cytosine triphosphoric is essential for research into cancer biology, particularly in the study of leukemia and other related malignancies.
  21. Drug Metabolite

    N-Desmethyl rosiglitazone is a drug metabolite resulting from the demethylation of Rosiglitazone via the cytochrome P450 enzyme system in liver microsomes. This compound exhibits partial agonist activity at the peroxisome proliferator-activated receptor gamma (PPARγ), making it valuable for research into the metabolism and pharmacokinetics of Rosiglitazone. It serves as a useful tool for examining the pharmacological effects and metabolic pathways associated with thiazolidinedione drugs.
  22. Stable Isotope

    Rabeprazole sulfide-d3 is a deuterium-labeled analog of Rabeprazole Sulfide, which serves as a metabolite of the proton pump inhibitor Rabeprazole. This compound effectively inhibits the motility of Helicobacter pylori, making it a valuable tool for studying H. pylori infections. Rabeprazole sulfide-d3 can facilitate research on antibiotic resistance and the mechanisms underlying H. pylori pathogenesis.
  23. Drug Metabolite

    Rabeprazole Sulfide is a sulfide metabolite of the proton pump inhibitor Rabeprazole. It exhibits inhibitory effects on the motility of Helicobacter pylori, making it a valuable tool for studying this bacterial infection. Research utilizing Rabeprazole Sulfide can contribute to a better understanding of Helicobacter pylori's role in gastrointestinal diseases.
  24. Drug Metabolite

    Desmethyl ferroquine is the primary active metabolite of Ferroquine, targeting malaria infection. It exhibits significant antimalarial activity against both Chloroquine-susceptible and resistant strains of Plasmodium falciparum. This compound is valuable for research applications focused on malaria treatment and drug resistance mechanisms.
  25. Drug Metabolite

    Deacetylmoxisylyte is an orally active drug metabolite derived from the prodrug Moxisylyte, primarily targeting alpha-1 and alpha-2 adrenoceptors. It demonstrates significant affinity and selectivity in rabbit corpus cavernosum and urethra tissues, with IC50 values of 400 nM and 1200 nM, respectively. This compound is valuable in pharmacological research focused on understanding adrenergic receptor interactions and their physiological effects.
  26. Drug Metabolite

    Beclomethasone 17-propionate is a potent glucocorticoid receptor (GR) agonist and an active metabolite of Beclomethasone dipropionate. It demonstrates a higher affinity for the GR, making it more effective in modulating glucocorticoid activity. This compound effectively suppresses cytokine production in lung macrophages associated with chronic obstructive pulmonary disease (COPD), making it valuable for research in inflammation and respiratory disorders.
  27. Drug Metabolite

    16-Phenyl tetranor Prostaglandin F2α is a metabolically stable analog of Prostaglandin F2α, targeting the FP receptor. Although it exhibits lower affinity at the FP receptor in ovine luteal cells (8.7%) compared to its parent compound, it serves as a valuable tool in pharmacological research. Its unique stability and receptor interaction profile make it suitable for studies involving prostaglandin signaling pathways and reproductive biology.
  28. Drug metabolite

    SCH-720881 is the active metabolite of Rolapitant, a selective and long-acting neurokinin 1 (NK1) receptor antagonist with a Ki of 0.66 nM. This compound exhibits significant anti-emetic properties, making it valuable for studies involving nausea and vomiting. SCH-720881 provides insights into the pharmacological effects of NK1 receptor modulation in various preclinical models, thereby facilitating research into anti-emetic therapies.
  29. Drug Metabolite

    Piribedil N-oxide is a metabolite of the dopamine receptor agonist Piribedil, primarily functioning as a drug metabolite. This compound retains the ability to interact with dopamine receptors, contributing to studies on dopamine signaling pathways and pharmacokinetics. Its characterization is essential for understanding the metabolic fate of Piribedil and its potential implications in neurological research and therapeutic applications.
  30. Free Radical Scavenger

    Cirsiliol 4′-glucoside is a free radical scavenger derived from Ruellia tuberosa L. This compound exhibits significant antioxidant properties, contributing to its potential anti-diabetic activity. Its ability to modulate oxidative stress makes it a valuable reagent for research in diabetes and related metabolic disorders.
  31. Tibolone Metabolite

    3a-Hydroxytibolone is a metabolite of Tibolone, primarily targeting estrogen receptors. This compound exhibits significant biological activity relevant to breast cancer research, providing insights into hormone-related tumor proliferation. Its application extends to studies on the hormonal modulation of breast tissue and the development of therapeutic strategies for hormone-sensitive cancers.
  32. Active Metabolite

    Dabigatran acyl-β-D-glucuronide is an active metabolite of the direct thrombin inhibitor Dabigatran. This compound enhances activated partial thromboplastin time (aPTT) in isolated human platelet-poor plasma, reflecting its anticoagulant properties. It is valuable for studying the pharmacokinetics and pharmacodynamics of anticoagulants in various research applications.
  33. Quinidine Metabolite

    3-Hydroxyquinine is a metabolite of Quinidine, primarily targeting cardiac arrhythmias. It has been shown to prevent ventricular fibrillation and ventricular tachycardia in an isolated rat heart model after coronary reperfusion, demonstrating concentration-dependent effects. This compound is valuable for research focusing on cardiac pathophysiology and the mechanistic study of arrhythmias.
  34. Drug Metabolite

    Ichangin is a drug metabolite derived from the ponderosa lemon (Citrus pyriformis) that exhibits significant antioxidant and anti-inflammatory properties. This compound is of interest in biochemical research for its potential therapeutic applications in oxidative stress-related disorders and inflammation. Its ability to modulate biological pathways makes Ichangin a valuable tool for investigating the effects of natural products in drug metabolism and pharmacology.
  35. Metabolite of Mosapride

    Mosapride N-Oxide is a significant active metabolite of Mosapride, a gastroprokinetic agent that selectively targets the 5HT4 receptor. This compound plays a crucial role in enhancing gastrointestinal motility and is utilized in research exploring gastrointestinal disorders and neurogastroenterology. Its pharmacological properties offer valuable insights into the mechanisms underlying gut function and related therapeutic strategies.
  36. Tertiary Amine Metabolite

    Cyclobenzaprine N-oxide is the tertiary amine metabolite of Cyclobenzaprine, a skeletal muscle relaxant that exerts its effects on the central nervous system. This compound is formed in liver particles and is subject to enzymatic reduction by liver cytosolic reductases, converting it back to the parent amine. Cyclobenzaprine N-oxide serves as a valuable tool for studying the pharmacological activity and metabolism of Cyclobenzaprine in research applications related to muscle relaxation and neuropharmacology.
  37. Unsaturated Hydroxy Fatty Acid

    (9Z)-16-Hydroxy-9-hexadecenoic acid is an unsaturated hydroxy fatty acid that serves as a bioactive compound in various biological processes. This fatty acid can be generated through the fermentation of Methyl palmitoleate using the yeast Torulopsis apicola. Its unique structural features contribute to its role in lipid metabolism and may have implications in studying metabolic pathways and related diseases.
  38. Azelastine Metabolite

    Desmethylazelastine is the primary active metabolite of Azelastine, functioning as a selective and high-affinity antagonist of the histamine H1 receptor. With a protein binding rate of 97% and an elimination half-life of 54 hours, it plays a significant role in the pharmacological effects of Azelastine. This compound is valuable for research applications involving allergic rhinitis, asthma, diabetic hyperlipidemia, and studies related to SARS-CoV-2.
  39. Metabolite of Felbamate

    SCH 54388 is an orally active metabolite of Felbamate, primarily targeting GABA and NMDA receptors. This compound significantly diminishes functional impairments associated with cognitive deficits induced by agents such as Scopolamine and Dizocilpine. SCH 54388 is suitable for research focused on cognitive impairment and neuroprotective mechanisms.
  40. Arachidonic acid Metabolite

    8(S),9(R)-EET is an eicosanoid metabolite derived from arachidonic acid, produced through the enzymatic action of cytochrome P450. This compound exhibits potent vasodilatory effects, demonstrated by its ability to dilate canine epicardial arterioles in a concentration-dependent manner, with an EC50 value of 121 nM. 8(S),9(R)-EET is valuable in research applications focused on cardiovascular function and the role of arachidonic acid metabolites in vascular biology.
  41. Drug Metabolite

    Bifenazate-diazene is a significant degradation product of Bifenazate, a selective carbazate acaricide and insecticide. This compound serves as a valuable tool for studying the metabolic pathways of Bifenazate, enabling researchers to investigate its environmental fate and bioactivity. Its applications extend to evaluating the effects of Bifenazate and its metabolites on various biological systems, contributing to the understanding of pesticide behavior and safety.
  42. Drug Metabolite

    Ro 14-6113 is an inactive phenolic metabolite of the carotenoid compound Ro 15-0778, which is a derivative of vitamin A. This reagent serves as an important tool in studying the metabolic pathways of carotenoids and their influence on biological systems. It can be utilized in various research applications related to vitamin A metabolism and its physiological effects.
  43. Drug Metabolite

    Avitinib-methyl is a drug metabolite of Avitinib, primarily functioning as a biomarker for pharmacokinetic studies. It plays a significant role in assessing drug metabolism and pharmacodynamics, particularly in understanding the bioavailability and efficacy of Avitinib in clinical research. This compound is valuable for researchers investigating the therapeutic window and safety profiles associated with Avitinib treatments.
  44. Drug Metabolite

    Lurasidone Metabolite 14283-d8 is the deuterated form of the Lurasidone metabolite 14283, serving as a valuable tool for drug metabolism studies. This particular metabolite plays a significant role in understanding the pharmacokinetics and pharmacodynamics of Lurasidone. Researchers can utilize Lurasidone Metabolite 14283-d8 to trace metabolic pathways and quantify drug levels in biological samples, aiding in the development of therapeutic strategies.
  45. Drug Metabolite

    8-Demethyl Ivabradine is a drug metabolite of Ivabradine, specifically targeting hyperpolarization-activated cyclic nucleotide-gated (HCN) channels. This compound can be utilized in research to study the pharmacokinetics and pharmacodynamics of Ivabradine. Its role in modulating cardiac rhythm makes it relevant for investigations into cardiovascular physiology and therapeutic interventions.
  46. Drug Metabolite

    Simvastatin Acyl-β-D-glucuronide is a primary metabolite of Simvastatin, which functions as a competitive inhibitor of HMG-CoA reductase with a Ki of 0.2 nM. This compound plays a significant role in the pharmacokinetics of Simvastatin and is utilized in research applications focused on lipid metabolism and cholesterol regulation. Its analysis can provide insights into the metabolic pathways and efficacy of statin therapeutics.
  47. Drug Metabolite

    T-705RMP is a phosphorylated metabolite of T-705 that primarily targets IMP dehydrogenase (IMPDH) activities in host cells. It demonstrates a very weak inhibitory effect, with an IC50 value of 601 μM. This compound can be utilized in research applications examining the metabolic pathways of antiviral agents and their effects on cellular processes.
  48. Drug Metabolite

    5,6-Epoxy-13-cis retinoic acid is a drug metabolite of 13-cis retinoic acid, primarily involved in retinoid metabolism. This compound serves as a relevant research tool for studying the pharmacokinetics and pharmacodynamics of retinoids, particularly in the context of skin and cancer therapies. Its structural properties make it significant for investigations into metabolite interactions and their biological effects.
  49. Ilaprazole Metabolite

    Ilaprazole sulfone is the primary metabolite of Ilaprazole, primarily formed through the activity of cytochrome P450 enzymes CYP3A4 and CYP3A5. As a metabolite of an oral proton pump inhibitor, Ilaprazole sulfone holds relevance in pharmacokinetic studies and the evaluation of drug interactions. Its examination may provide insights into the efficacy and safety profiles of proton pump inhibitors in clinical settings.
  50. Drug Metabolite

    (S)-2-Ketodoxapram is a drug metabolite of Doxapram, which functions as a respiratory stimulant. This compound is crucial for studying the pharmacokinetics and metabolic pathways of Doxapram in various biological systems. It enables researchers to investigate its effects on respiration and potential therapeutic applications in respiratory disorders.

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