Isotope-Labeled Compounds

Risperidone-d4 is a deuterated analog of Risperidone, functioning primarily as a serotonin 5-HT2 receptor antagonist and dopamine D2 receptor antagonist. It is characterized by its inhibitory effects on P-Glycoprotein, with binding affinities (Kis) of 4.8 nM for the 5-HT2A receptor and 5.9 nM for the dopamine D2 receptor. This stable isotope is valuable for pharmacokinetic studies, metabolic profiling, and tracing mechanisms in neurological research applications.

Brexpiprazole S-oxide-d8 is a deuterium-labeled analog of Brexpiprazole S-oxide, the primary metabolite of the atypical antipsychotic Brexpiprazole. This compound acts as a partial agonist at human 5-HT1A and dopamine receptors, with inhibition constants (Kis) of 0.12 nM and 0.3 nM, respectively. Additionally, it functions as an antagonist at the 5-HT2A receptor, exhibiting a Ki of 0.47 nM. Brexpiprazole S-oxide-d8 is valuable for pharmacokinetic studies and metabolic profiling in research applications focused on psychiatric disorders.

Ondansetron-d3 hydrochloride is a deuterium-labeled analog of Ondansetron hydrochloride, a potent antagonist of the serotonin 5-HT3 receptor. This stable isotope is primarily utilized in research applications involving pharmacokinetics and metabolic studies of Ondansetron. Its unique labeling enables precise tracking in biological systems, facilitating the investigation of its antiemetic properties, particularly in the context of chemotherapy-induced nausea and vomiting.

Volinanserin-d4 hydrochloride is a deuterated analog of Volinanserin, a potent and selective antagonist of the 5-HT2 receptor, exhibiting a Ki value of 0.36 nM. This compound demonstrates significant selectivity, being 300-fold more potent at the 5-HT2 receptor compared to 5-HT1c, alpha-1, and DA D2 receptors. Volinanserin is primarily utilized in research focused on antipsychotic activity and the modulation of serotonergic signaling pathways.

Clozapine-d8 is a stable isotope-labeled analog of Clozapine, an antipsychotic agent primarily utilized in schizophrenia research. This compound exhibits a high affinity for various neuroreceptors, making it valuable for studies investigating the pharmacodynamics and pharmacokinetics of antipsychotic therapies. Its deuterium labeling enables more precise analytical techniques in metabolic and binding studies.

Aripiprazole-d8 is the deuterium-labeled variant of Aripiprazole, primarily known for its activity as a partial agonist at the human 5-HT1A receptor with a Ki of 4.2 nM. This stable isotope is utilized in research applications requiring precise quantification and tracing of Aripiprazole in biological systems. It facilitates studies on the pharmacokinetics, metabolism, and biological interactions of the compound.

Norfluoxetine-d5 hydrochloride is a deuterated derivative of 3-Phenyl-3-(4-(trifluoromethyl)phenoxy)propan-1-amine. This stable isotope-labeled compound serves as a valuable tool for pharmacokinetic studies and metabolic research, enabling precise tracking and analysis of drug interactions and dynamics. Its incorporation in experimental designs aids in the elucidation of the mechanisms underlying fluoxetine metabolism and pharmacology.

Urapidil-d3 is a deuterium-labeled derivative of Urapidil, functioning primarily as an α1 adrenoreceptor antagonist and a 5-HT1A receptor agonist. This stable isotope is valuable in studying drug metabolism, distribution, and pharmacokinetics, providing insights into the bioactivity of Urapidil in various biological systems. Researchers can utilize Urapidil-d3 to enhance the understanding of cardiovascular and neuropharmacological effects associated with this compound.

Agomelatine-d3 is a deuterium-labeled derivative of Agomelatine, which primarily targets MT1 and MT2 melatonin receptors, demonstrating high affinity with Ki values of 0.1, 0.06, 0.12, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2 cells, respectively. Additionally, Agomelatine acts as a selective antagonist of the 5-HT2C receptor with pKi values of 6.4 and 6.2 for native porcine and cloned human receptors, respectively. This stable isotope compound is valuable for pharmacokinetic studies and metabolic research involving melatonergic modulation and serotonin receptor interactions.

Sumatriptan-d6 succinate is a deuterated form of Sumatriptan succinate, functioning as an orally active agonist of the 5-HT1 receptor family. With inhibition constants (Kis) of 17 nM, 27 nM, and 100 nM for the 5-HT1D, 5-HT1B, and 5-HT1A receptors, respectively, this compound is primarily utilized in research focused on migraine headaches. Its stable isotope labeling enables advanced studies in pharmacokinetics and metabolism.

5-Methoxytryptamine-d4 is a deuterium-labeled derivative of 5-Methoxytryptamine, functioning as a nonselective agonist of 5-HT receptors while showing no affinity for the 5-HT3 receptor. This compound exhibits significant antioxidant properties and offers radioprotective effects. It is valuable for research applications in neurotransmitter signaling, oxidative stress studies, and the exploration of melatonin metabolism.

Quetiapine hemifumarate-d8 is a deuterated form of Quetiapine hemifumarate, primarily acting as an antagonist at dopamine D2 receptors and an agonist at 5-HT1A receptors. It exhibits moderate to high affinity for multiple serotonin receptors, including 5-HT2A and 5-HT2C, making it a valuable tool for studying neurochemical pathways involved in mood regulation. This stable isotope is useful in pharmacokinetic studies, aiding in the understanding of Quetiapine's pharmacodynamics and therapeutic effects related to its antidepressant and anxiolytic properties.

Psychosine-d5 is a deuterium-labeled analog of Psychosine, a substrate for the galactocerebrosidase (GALC) enzyme. This stable isotope serves as a potential biomarker for Krabbe disease and is utilized in research to study the disease's pathophysiology. As a highly cytotoxic lipid, Psychosine can induce cell death across various cell types, making Psychosine-d5 valuable for investigations into cell toxicity and lipid metabolism.

Ruboxistaurin-d6 hydrochloride is a deuterated form of Ruboxistaurin hydrochloride, a selective inhibitor of protein kinase C (PKC) beta. Exhibiting ATP-dependent competitive inhibition, it demonstrates significant potency with a Ki of 2 nM and an IC50 of 4.7 nM for PKC beta I and 5.9 nM for PKC beta II. This stable isotope is valuable for research applications involving metabolic tracing, pharmacokinetics, and the study of PKC-related cellular signaling pathways.

1-Stearoyl-2-Arachidonoyl-d8-sn-Glycerol is a deuterium-labeled derivative of 1-Stearoyl-2-arachidonoyl-sn-glycerol, a diacylglycerol (DAG) that includes polyunsaturated fatty acids. This compound is known to activate protein kinase C (PKC) and enhance the activity of nonselective cation channels (NSCC). It serves as a valuable tool for studying lipid signaling pathways and the regulation of cellular processes in various research applications.

Psychosine-d7 is a deuterium-labeled analog of psychosine, serving as a stable isotope for research applications. Psychosine acts as a substrate for the galactocerebrosidase (GALC) enzyme and is identified as a potential biomarker for Krabbe disease. This lipid is known for its high cytotoxicity, inducing apoptosis across various cell types, making it valuable for studies related to neurodegenerative disorders and cellular stress responses.

Stearoyl-L-carnitine-d9 chloride is a deuterated analogue of Stearoyl-L-carnitine chloride, classified as a stable isotope. It serves as a valuable tool in metabolic studies, particularly in understanding lipid metabolism and energy deficiency in type 2 diabetes models. This compound is known to inhibit protein kinase C (PKC) and lecithin cholesterol acyltransferase (LCAT), while also acting as a metabolomic biomarker for Parkinson's disease. Additionally, it demonstrates reduced potency as an inhibitor of GlyT2, providing insights into neurotransmitter dynamics.

Stearoyl-L-carnitine-d3 is a deuterated form of Stearoylcarnitine, functioning primarily as a stable isotope for research applications. This fatty ester lipid is an endogenous metabolite, known to inhibit protein kinase C (PKC) and accumulate in pancreatic β cells, resulting in impaired insulin synthesis and energy deficiency in type 2 diabetes models. Additionally, Stearoyl-L-carnitine-d3 inhibits lecithin cholesterol acyltransferase (LCAT) in animal plasma and serves as a potential metabolomics biomarker for Parkinson’s disease, further expanding its utility in metabolic research.

(±)-1,2-Diolein-CC3 is a stable isotope-labeled derivative of (±)-1,2-Diolein, also known as 1,2-Dioleoyl-rac-glycerol-13C3. This compound acts as an activator of protein kinase C (PKC) and is known to enhance calcium ion influx in myotubes. It is particularly useful in research applications studying lipid signaling pathways, cell proliferation, and muscle physiology.

2-Deoxyuridine-1,2,3,4,5-13C5 is a stable isotope-labeled form of 2'-Deoxyuridine, a naturally occurring pyrimidine nucleotide. This compound plays a crucial role in nucleotide metabolism and is linked to various neurological disorders. Notably, 2'-Deoxyuridine has been shown to enhance chromosome breakage and reduce thymidylate synthase activity. It also demonstrates neuroprotective effects by decreasing microglial activation and alleviating oxidative stress in models of Alzheimer's disease, making it a valuable tool for research in neurodegeneration and related fields.

D-Psicose-d is a deuterium-labeled form of D-Psicose, which serves as a stable isotope for research applications. This rare sugar is known for its oral bioactivity and demonstrates inhibitory effects on p38-MAPK phosphorylation and MCP-1 expression. D-Psicose also modulates the AGEs/RAGE/NF-κB signaling pathway, offering protective effects on pancreatic β-islets and improving metabolic conditions such as hyperglycemia and non-alcoholic fatty liver disease induced by high-fat diets.

Fumaric acid-13C2 is a stable isotope-labeled version of fumaric acid, an unsaturated dicarboxylic acid involved in the citric acid cycle. This compound plays a critical role in energy metabolism by facilitating ATP production. Additionally, fumaric acid exhibits anti-inflammatory properties by inhibiting the NF-κB signaling pathway via p38 MAPK modulation. Its applications extend to the investigation of conditions such as pregnancy-induced hypertension, making it a valuable tool for metabolic and physiological research.

(R)-STU104-d6 is a deuterium-labeled derivative of (R)-STU104, a potent inhibitor of the TAK1-MKK3 interaction, exhibiting IC50 values of 0.58 μM and 4.0 μM for TNF-α and MKK3 phosphorylation, respectively. This compound effectively disrupts the TAK1/MKK3/p38/MnK1/MK2/eIF4E signaling pathways by binding to MKK3, thereby inhibiting its phosphorylation by TAK1. (R)-STU104-d6 is suitable for applications in research focused on ulcerative colitis and related inflammatory conditions.

Budesonide-d6 is a deuterium-labeled derivative of Budesonide, primarily targeting the glucocorticoid receptor. Known for its anti-inflammatory properties, Budesonide-d6 is utilized in research to study mechanisms of action related to asthma and lung diseases. This stable isotope variant allows for enhanced tracking of Budesonide pharmacokinetics and dynamics in biological systems, making it valuable for studies focused on tumor reduction and gene expression modulation.

Acetazolamide-d3 is a deuterium-labeled derivative of Acetazolamide, targeting carbonic anhydrase (CA) IX with an IC50 of 30 nM. This reagent is utilized in biological research to explore the inhibitory effects of carbonic anhydrase and its implications in diuretic, antihypertensive, and anti-gonococcal therapies. Its stable isotope label allows for precise tracking in metabolic studies and pharmacokinetic analyses.

Zonisamide-d4 is a deuterated derivative of Zonisamide, primarily acting as an inhibitor of carbonic anhydrase (CA) enzymes, specifically targeting human mitochondrial isozyme hCA II and hCA V with inhibition constants of 35.2 nM and 20.6 nM, respectively. This stable isotope is valuable in pharmacokinetic studies and isotopic labeling experiments to enhance the understanding of Zonisamide's pharmacodynamics and therapeutic efficacy. Its applications extend to research on epilepsy, seizure disorders, and Parkinson's disease.

Dorzolamide-d5 (hydrochloride) is a deuterated form of Dorzolamide (hydrochloride), a potent inhibitor of carbonic anhydrase II. This compound exhibits exceptional inhibitory activity, with IC50 values of 0.18 nM for red blood cell carbonic anhydrase II and 600 nM for carbonic anhydrase I. Dorzolamide is also recognized for its anti-tumor properties, making it a valuable reagent for research in cancer biology and enzyme inhibition studies.

Brinzolamide-d5 is a deuterium-labeled derivative of Brinzolamide, a potent inhibitor of carbonic anhydrase II with an IC50 of 3.19 nM. This stable isotope is designed for use in metabolic studies, tracer experiments, and pharmacokinetic evaluations. Brinzolamide-d5 facilitates detailed investigation into drug action and distribution within various biological systems.

Methazolamide-d6 is the deuterated form of Methazolamide, a sulfonamide derivative that functions as a potent inhibitor of carbonic anhydrase II, exhibiting a Ki value of 14 nM. This compound is primarily utilized in research focused on ocular conditions, particularly for its ability to lower intraocular pressure in models of glaucoma and other related disorders. Methazolamide-d6 serves as a valuable tool for studying carbonic anhydrase activity and exploring pharmacokinetic properties through stable isotope labeling.

Sulthiame-d4 is a deuterium-labeled derivative of sulthiame, a known carbonic anhydrase inhibitor. This stable isotope is primarily utilized in pharmacokinetic studies and metabolic research involving sulthiame, aiding in the elucidation of its mechanism of action and distribution in biological systems. Its application is particularly relevant in the investigation of epilepsy treatments and drug metabolism pathways.

Diclofenamide-13C6 is a stable isotope-labeled analog of Diclofenamide. As a carbon-13 enriched compound, it serves as a valuable tool for metabolic tracing and the study of drug metabolism in biological systems. This reagent is primarily utilized in pharmacokinetic studies and research applications involving non-invasive imaging techniques.

Dorzolamide-d5 is a deuterated form of Dorzolamide, a potent inhibitor of carbonic anhydrase II, demonstrating IC50 values of 0.18 nM for red blood cell CA-II and 600 nM for CA-I. This stable isotope variant serves as a valuable tool for tracing and analyzing metabolic pathways involving carbonic anhydrases. Additionally, Dorzolamide's anti-tumor activity makes it relevant for cancer research applications, providing insights into its molecular mechanisms.

Ethoxzolamide-d5 is a deuterium-labeled analogue of Ethoxzolamide, a potent inhibitor of carbonic anhydrase with a Ki of 1 nM. This stable isotope-labeled compound is essential for metabolic and pharmacokinetic studies, allowing for accurate tracking of drug metabolism and distribution in biological systems. Its application extends to various research fields, including enzymology and drug development, facilitating detailed analysis of carbonic anhydrase activity and its physiological implications.

Deruxtecan-d2 is a deuterium-labeled derivative of Deruxtecan, functioning as a stable isotope for research applications. This compound serves as an antibody-drug conjugate (ADC) drug-linker, consisting of the DX-8951 derivative (DXd) and a maleimide-GGFG peptide linker, facilitating the synthesis of DS-8201 and U3-1402. It is valuable in studying the pharmacokinetics and metabolic pathways of ADC therapies in various cancer research contexts.

D-Arabinose-13C-3 is a stable isotope-labeled form of D-Arabinose, an aldopentose sugar. It acts as a selective metabolic inhibitor, showing antidepressant properties and growth inhibition in C. elegans with an IC50 of 7.5 mM. D-Arabinose can penetrate the blood-brain barrier, influencing the metabolism of D-ribose and D-fructose, and exhibits antibacterial effects by inhibiting cell biofilm synthesis. Its mechanism involves activation of the ACSS2-PPARγ/TFEB-CRTC1 axis through the lysosomal AXIN-LKB1-AMPK pathway, which induces CRTC1 transcription and contributes to its antidepressant-like effects. This reagent is valuable for studying metabolic pathways and neuronal function in various research applications.

Daidzein-3',5',8-d3 is a deuterium-labeled form of Daidzein, primarily functioning as a stable isotope. Daidzein, a soy isoflavone, exhibits activity as a peroxisome proliferator-activated receptor (PPAR) activator. This compound is widely used in research applications focused on metabolic regulation, hormonal activity, and the beneficial effects of isoflavones in various biological contexts.

5-Aminosalicylic Acid-d3 hydrochloride is a deuterium-labeled derivative of 5-Aminosalicylic Acid (Mesalamine), functioning as a stable isotope. It acts as a selective peroxisome proliferator-activated receptor gamma (PPARγ) agonist and also demonstrates inhibitory effects on p21-activated kinase 1 (PAK1) and nuclear factor kappa-light-chain-enhancer of activated B cells (NF-κB). This compound is primarily utilized in research applications related to inflammation, colitis, and other gastrointestinal disorders.

Fmoc-Ala-OH-13C3 is a stable isotope-labeled alanine derivative featuring three carbon-13 isotopes. This reagent is primarily utilized in peptide synthesis and is essential for applications requiring isotopic labeling in research, including mass spectrometry and NMR spectroscopy. Its use facilitates the tracking of molecular interactions in various biological systems, enhancing the understanding of metabolic pathways and protein dynamics.

Dabrafenib-d9 is a deuterium-labeled analog of the selective ATP-competitive inhibitor Dabrafenib, which targets Raf kinases. This reagent exhibits potent inhibition, with IC50 values of 5 nM for C-Raf and 0.6 nM for B-RafV600E. Dabrafenib-d9 is primarily utilized in pharmacokinetic studies and metabolic research, enhancing the understanding of Dabrafenib's dynamics and behavior in biological systems.

PLX-4720-d7 is a deuterated form of PLX-4720, a potent and selective inhibitor of B-RafV600E, exhibiting an IC50 of 13 nM in cell-free assays. This compound shows comparable potency against c-Raf-1 mutations (Y340D and Y341D) and demonstrates a tenfold selectivity for B-RafV600E over wild-type B-Raf. Its stable isotope labeling makes it suitable for advanced metabolic studies and pharmacokinetic research applications.

Deruxtecan-d4 is a deuterium-labeled derivative of Deruxtecan, a potent antibody-drug conjugate (ADC) linker. This stable isotope serves as a valuable tool for tracing and quantification in biological studies. Its primary applications include the synthesis of DS-8201 and U3-1402, facilitating research on targeted cancer therapies and drug delivery mechanisms.

Deruxtecan-d4-1 is a deuterium-labeled derivative of Adenosine Deruxtecan, serving as a stable isotope for research applications. This compound features an ADC drug-linker conjugate composed of the DX-8951 derivative (DXd) and a maleimide-GGFG peptide linker. It is primarily utilized in the synthesis of DS-8201 and U3-1402, facilitating studies in targeted cancer therapies and drug development.

Deruxtecan-d6 is a stable isotope-labeled analog of Deruxtecan. This compound is utilized primarily in pharmacokinetic studies to accurately track the behavior of the drug in biological systems. By employing deuterium labeling, researchers can enhance the precision of their analyses in drug metabolism and efficacy research.

Doxofylline-d6 is a deuterium-labeled form of Doxofylline, an adenosine A1 receptor antagonist that also demonstrates phosphodiesterase IV inhibition. This stable isotope is valuable for various research applications, including pharmacokinetic studies, mechanism of action investigations, and metabolic pathway analysis. Its unique labeling allows for enhanced tracking and quantification in complex biological systems.

Tadalafil-d3 is a deuterated derivative of Nortadalafil, a well-known phosphodiesterase type 5 (PDE5) inhibitor. This stable isotope-labeled compound is utilized in pharmacokinetic studies to trace the metabolism and distribution of Tadalafil in biological systems. Its primary applications include drug development and pharmacological research, particularly in understanding mechanisms associated with erectile dysfunction and pulmonary arterial hypertension.

Dipyridamole-d20 is a deuterium-labeled form of Dipyridamole, a potent phosphodiesterase inhibitor. Its primary mechanism involves the inhibition of adenosine uptake and metabolism by erythrocytes and vascular endothelial cells. This stable isotope-labeled compound is valuable for research applications in pharmacokinetics, metabolic studies, and mechanisms of action involving adenosine pathways in cardiovascular biology.

Roflumilast-d4 is a deuterium-labeled derivative of Roflumilast, a selective phosphodiesterase 4 (PDE4) inhibitor. This compound exhibits potent inhibitory activity with IC50 values of 0.7 nM for PDE4A1, 0.9 nM for PDE4A, 0.7 nM for PDEB1, and 0.2 nM for PDEB2, demonstrating its specificity as it does not impact PDE1, PDE2, PDE3, or PDE5 isoenzymes across various cell types. Roflumilast-d4 is primarily used as a stable isotope internal standard in pharmacokinetic studies and drug metabolism research.

Roflumilast-d4 N-Oxide is a deuterium-labeled analog of Roflumilast, a selective inhibitor of phosphodiesterase 4 (PDE4). It demonstrates high potency with IC50 values of 0.7 nM for PDE4A1, 0.9 nM for PDE4A, 0.7 nM for PDEB1, and 0.2 nM for PDEB2, while sparing the activity against PDE1, PDE2, PDE3, and PDE5 isoenzymes. This compound is valuable for pharmacokinetic studies and metabolic profiling in chemical research related to inflammatory diseases and respiratory conditions.

Nor-Acetildenafil-d8 is a deuterated derivative of Nor-Acetildenafil, targeting phosphodiesterase inhibition. This stable isotope compound is valuable for metabolic studies and pharmacokinetic analyses involving Acetildenafil derivatives. Its unique labeling enables precise tracking and quantification in biological systems, enhancing research applications in drug development and pharmacodynamics.

Acetildenafil-d8 is a deuterium-labeled derivative of Acetildenafil, which acts as an inhibitor of phosphodiesterase 5 (PDE5). This stable isotope is utilized in pharmacokinetic studies to trace metabolic pathways and investigate the pharmacological properties of PDE5 inhibitors. Its application in research enables a deeper understanding of drug metabolism and the effects of deuteration on biological activities.