Isotope-Labeled Compounds

Mono(2-ethyl-5-hydroxyhexyl) phthalate-d4 (MEHHP-d4) is a deuterium-labeled derivative of Mono(2-ethyl-5-hydroxyhexyl) phthalate, which serves as an oxidative metabolite of Di(2-ethylhexyl) phthalate (DEHP). This stable isotope is utilized in toxicological and pharmacokinetic studies, providing insights into the metabolic pathways of phthalates. Research has indicated that MEHHP may offer protective effects against sperm DNA damage, highlighting its relevance in reproductive toxicity investigations. It also plays a role in environmental monitoring related to plasticizers.

Nordoxepin-d4 hydrochloride is a deuterium-labeled analogue of Nordoxepin, acting primarily as a stable isotope tracer. This compound is utilized in pharmaceutical research and metabolic studies to enhance the understanding of drug metabolism and pharmacokinetics. Its isotopic labeling allows for precise quantification and tracking of biological pathways involving Nordoxepin in various experimental settings.

6-Hydroxy Chlorzoxazone-15N,d2 is a stable isotope-labeled variant of 6-Hydroxy Chlorzoxazone, incorporating both nitrogen-15 and deuterium isotopes. This compound is primarily used in pharmacokinetic studies, drug metabolism research, and tracer applications in biological systems. Its stable isotope labeling enhances the accuracy of quantitative analysis and molecular tracing in various biochemical assays.

4'-Hydroxy diclofenac-13C6 is a stable isotope-labeled form of 4'-hydroxy diclofenac, a metabolite of Diclofenac formed via cytochrome P450 2C9 (CYP2C9) activity. This compound exhibits anti-inflammatory and analgesic properties, making it valuable for pharmacokinetic studies and metabolic research. The stable isotope labeling assists in tracer studies, allowing for precise quantification and tracking of drug metabolism and distribution in biological systems.

MTIC-d3 is a deuterium-labeled derivative of MTIC, the active metabolite of Temozolomide (TMZ). Due to its altered physical properties, MTIC-d3 provides insights into the bioavailability of MITC within the central nervous system, highlighting its permeability through biological barriers and tumor cell membranes. This stable isotope is valuable for pharmacokinetic studies and investigations into the metabolic pathways of TMZ and its metabolites in cancer research.

Omeprazole sulfone (methoxy-d3) is a deuterium-labeled metabolite of Omeprazole, a well-known proton pump inhibitor. This stable isotope is utilized to study metabolic pathways and pharmacokinetics of Omeprazole in various biological systems. Its unique labeling provides enhanced sensitivity and specificity in analytical applications, making it a valuable tool for researchers investigating drug metabolism and interactions.

Dasatinib N-oxide-d8 is a deuterium-labeled derivative of Dasatinib N-oxide, a minor metabolite of the potent dual Src/Bcr-Abl inhibitor Dasatinib. This stable isotope can be utilized in pharmacokinetic studies and metabolic profiling to enhance the understanding of Dasatinib's metabolic pathways. With its precise isotopic labeling, Dasatinib N-oxide-d8 aids in the investigation of drug interactions and the quantification of metabolites in biological samples.

Carboxy Gliclazide-d4 is a deuterium-labeled analog of Carboxy Gliclazide, primarily utilized as a stable isotope for research purposes. This compound is valuable for applications in pharmacokinetic studies, enabling precise tracking of drug metabolism and distribution in biological systems. Its stable isotope labeling facilitates quantitative measurements in various analytical techniques, including mass spectrometry.

2-PADQZ-d8 is a stable isotope-labeled derivative of 2-PADQZ, incorporating deuterium atoms to enhance its stability and performance in various analytical applications. This reagent serves as a valuable internal standard in quantitative mass spectrometry, facilitating accurate measurement and analysis of target compounds in complex biological matrices. Its use is essential for metabolic tracing studies and the investigation of biochemical pathways.

Didesethyl chloroquine-d4 is a deuterium-labeled derivative of Didesethyl chloroquine, a prominent metabolite of the antimalarial drug Chloroquine. This compound serves as a stable isotope and is valuable for metabolic studies and pharmacokinetic research. Its cardiodepressive properties make it relevant in investigations of cardiovascular effects associated with antimalarial therapy.

4-Desmethoxy Omeprazole-d3 is a deuterium-labeled form of 4-Desmethoxy Omeprazole, the active metabolite of the proton pump inhibitor Omeprazole. This compound primarily targets the CYP2C19 enzyme, exhibiting competitive inhibition with an inhibition constant (Ki) ranging from 2 to 6 μM. It has significant biological activity, including the suppression of gastric acid secretion and the inhibition of growth in both Gram-positive and Gram-negative bacteria. This reagent is valuable for studies involving drug metabolism, pharmacokinetics, and antimicrobial activity.

Propafenone Dimer Impurity-d10 is a stable isotope variant of Propafenone Dimer Impurity, featuring deuterium labeling. This compound serves as a valuable internal standard in analytical chemistry, particularly in pharmacokinetic studies and drug metabolism research. Its unique isotopic composition enables accurate quantification and analysis of drug-related substances in biological samples, facilitating the assessment of pharmacological activity and safety profiles.

8-Hydroxy warfarin-d5 is a stable isotope-labeled derivative of warfarin, primarily used as an internal standard for quantifying warfarin and its metabolites in biological samples. Its incorporation in analytical methods enhances the accuracy and reliability of pharmacokinetic studies and therapeutic monitoring. This reagent is particularly valuable in research focusing on anticoagulant therapy and metabolic profiling.

Calcitroic acid-13C is a stable isotope-labeled derivative of Calcitroic acid, serving as a vitamin D receptor (VDR) agonist. It effectively activates VDR-mediated transcription, contributing to various biological responses associated with vitamin D metabolism. As the principal metabolite of 1,25-dihydroxyvitamin D3, Calcitroic acid is predominantly found in the liver and mucosal tissues of murine models, highlighting its physiological relevance. This compound exhibits metabolic stability and possesses low toxicity, making it suitable for diverse research applications in vitamin D biology and its implications in disease.

p,p'-DDE-d8 is a deuterated form of p,p'-DDE, a significant metabolite of the environmental contaminant dichlorodiphenyltrichloroethane (DDT). This compound acts as a potent antagonist of the androgen receptor, exhibiting an IC50 value of 5 μM and a Ki of 3.5 μM. p,p'-DDE-d8 is valuable in biological research for studying receptor interactions and the environmental impact of DDT metabolites on endocrine function.

Desdiacetyl bisacodyl-d13 is a deuterated derivative of Desacetyl bisacodyl, known for its stable isotope properties. As the active metabolite of the laxative bisacodyl, it primarily targets chloride secretion in epithelial tissues. This compound has been shown to induce enhanced mucus and chloride secretion in the rat colon and rectum, making it a valuable tool for research in gastrointestinal physiology and pharmacology.

N-Acetyl mesalazine-13C6 is a stable isotope-labeled form of N-Acetyl-5-aminosalicylic acid. This compound acts as an important biomarker for assessing the efficacy of 5-Aminosalicylic Acid and is known for its ability to scavenge free radicals, reduce DNA base hydroxylation, and ameliorate mucosal inflammation. Its applications are particularly relevant in studies of gastrointestinal diseases, including colitis and colon cancer.

2-(4-Isobutylphenyl)propan-3,3,3-d3-1-ol is a deuterated form of Ibuprofen alcohol, an analogue of a nonsteroidal anti-inflammatory drug (NSAID). This stable isotope compound is primarily utilized in pharmacokinetic studies and metabolomics research to trace and quantify drug metabolism pathways. While exhibiting minimal activity on acid-sensing ion channels (ASICs), it serves as a valuable tool for understanding the pharmacological effects of ibuprofen derivatives.

3-Methoxytyramine-d3 hydrochloride is a stable isotope of 3-Methoxytyramine hydrochloride, serving as a key metabolite of dopamine. This compound, which has been shown to activate trace amine associated receptor 1 (TAAR1), is utilized in research related to neurotransmitter metabolism and receptor interactions. Its stable isotope nature makes it particularly useful for analytical studies in pharmacology and neuroscience.

Hydroxy Iloperidone-d3 is a stable isotope-labeled metabolite of Iloperidone, characterized by the incorporation of deuterium at specific positions. This compound serves as a tracer in pharmacokinetic studies, facilitating the investigation of Iloperidone metabolism and bioavailability. Its use is essential in drug development and clinical research to enhance the understanding of pharmacodynamic and pharmacokinetic profiles.

Ortho-hydroxy atorvastatin lactone-d5 is a stable isotope-labeled derivative of 2-Hydroxy atorvastatin lactone, a significant metabolite of atorvastatin. As an HMG-CoA reductase inhibitor, atorvastatin is widely recognized for its efficacy in lowering blood lipid levels. This deuterium-labeled compound allows for precise studies in metabolic pathways and pharmacokinetics, making it an essential tool for researchers investigating lipid metabolism and cardiovascular diseases.

Mono(3-carboxypropyl) phthalate-d4 is a stable isotope-labeled derivative of Mono(3-carboxypropyl) phthalate, serving as a metabolite of Di-n-octyl phthalate. This compound is utilized in analytical chemistry to trace and quantify exposure to phthalate plasticizers in environmental and biological samples. Its applications include elucidating metabolic pathways and evaluating the effects of phthalate exposure in toxicological studies.

N-Acetyl mesalazine-d3-1 is a deuterium-labeled form of N-Acetyl mesalazine (N-Acetyl-5-aminosalicylic acid), primarily functioning as a stable isotope. This compound acts as a biomarker for assessing the therapeutic effects of 5-Aminosalicylic Acid, exhibiting significant biological activities such as free radical scavenging, reduction of DNA base hydroxylation, and mitigation of mucosal inflammation. N-Acetyl mesalazine-d3-1 is applicable in research focused on gastrointestinal disorders, including colitis and colon cancer.

Nirvanol-d5 (Ethylphenylhydantoin-d5) is a deuterium-labeled derivative of Nirvanol, a metabolite of Mephenytoin. This compound primarily targets neurological pathways to exert anticonvulsant effects, as demonstrated in the maximal electroshock (M.E.S.) seizure model in mice. Nirvanol-d5 serves as a valuable tool for research applications in epilepsy and related neurological disorders, facilitating the study of metabolic processes and drug interactions.

Dehydro Nifedipine-13C,d3 is a deuterated derivative of Dehydro Nifedipine, a primary metabolite of Nifedipine, which is a potent calcium channel blocker. This stable isotope is utilized in pharmacokinetic studies and metabolic research to trace the pathways and effects of Nifedipine within biological systems. Its applications include exploring cardiac function and assessing drug metabolism in various experimental settings.

3,4-Dihydroxybenzeneacetic acid-d3 is a deuterium-labeled derivative of 3,4-Dihydroxybenzeneacetic acid, serving as a stable isotope for analytical applications. This reagent is commonly utilized in metabolic studies, tracer experiments, and mass spectrometry. Its deuterated form aids in precise quantification and tracking of biological processes in various research settings.

Mebeverine alcohol-d5 is a deuterium-labeled derivative of Mebeverine alcohol, serving as a stable isotope. This compound is primarily utilized in pharmacokinetic studies and metabolic analyses to trace the biotransformation pathways of Mebeverine. Its application in isotopic labeling facilitates enhanced quantification and detection in mass spectrometry and other analytical techniques, aiding in the understanding of drug metabolism and efficacy.

Mono(2-ethyl-5-oxohexyl) phthalate-d4 is a deuterium-labeled analog of Mono(2-ethyl-5-oxohexyl) phthalate, serving as a stable isotope for research purposes. This compound is an oxidative metabolite of Di(2-ethylhexyl) phthalate (DEHP), which is widely used as a plasticizer in polyvinyl chloride (PVC). Mono(2-ethyl-5-oxohexyl) phthalate has been implicated in protecting sperm DNA from oxidative damage. It is utilized in studies investigating the metabolic pathways and biological effects of phthalates and their metabolites in various biological systems.

Mazindol metabolite-d4 hydrochloride is a stable isotope-labeled derivative of 2-(2-Aminoethyl)-3-(4-chlorophenyl)-3-hydroxyisoindol-1-one hydrochloride. This compound serves as a metabolite of the anorectic drug Mazindol and is utilized in pharmacokinetic studies to trace metabolic pathways and assess drug interactions. Its unique isotopic labeling facilitates accurate quantification and elucidates the pharmacodynamics of Mazindol in various biological systems.

Modafinil EP impurity B-d5 is a deuterated analogue of the Modafinil EP impurity B. This stable isotope is utilized in quantitative analytical applications, specifically in mass spectrometry, to enhance the accuracy and precision of detection. Its biological activity and characterization make it valuable for studies related to pharmacokinetics and drug metabolism research.

Calcifediol-d9 (25-hydroxy Vitamin D3-d9) is a deuterium-labeled analog of Calcifediol, serving as a stable isotope for research applications. This compound acts as an effective ligand for the Vitamin D receptor (VDR) and serves as a vitamin D supplement, playing a crucial role in the vitamin D endocrine system. Upon administration, Calcifediol is hydroxylated in the liver to form the biologically active metabolite, calcitriol, and is known to rapidly elevate serum vitamin D levels, thus aiding studies in vitamin D metabolism and related disorders.

4-Hydroxyantipyrine-d3 is a deuterium-labeled derivative of 4-Hydroxyantipyrine, the primary metabolite of Antipyrine. This stable isotope is utilized in pharmacokinetic studies to enhance the biodistribution analysis of Antipyrine, particularly in assessing its concentration dynamics within the brain. Its unique labeling allows for precise tracking and quantification in various biological research applications.

3,4,5-Trimethoxyphenylacetic acid-d2 is a deuterium-labeled derivative of 3,4,5-Trimethoxyphenylacetic acid, a metabolite of Mescaline. This stable isotope is valuable for use in pharmacokinetic studies and metabolic research, providing a means to trace and quantify biological pathways involving this compound. Its incorporation in experimental designs can enhance the understanding of the metabolic fate and biological interactions of Mescaline derivatives in various biological systems.

Mebeverine acid-d5 is a stable isotope-labeled form of the metabolite Mebeverine acid, generated through the hydrolysis of the antispasmodic agent Mebeverine. As a key circulating metabolite, Mebeverine acid-d5 serves as an important marker for assessing the pharmacokinetics of oral Mebeverine administration. This reagent is suitable for research applications involving metabolic studies and the investigation of drug metabolism and disposition.

1-Methylxanthine-d3 is a deuterated form of 1-Methylxanthine, a significant metabolite derived from caffeine and theophylline. This compound acts as a stable isotope, allowing for precise analytical studies in metabolic research. It has been shown to enhance the radiosensitivity of tumor cells, making it valuable for cancer research and therapeutic investigations.

3,4-Dihydroxybenzeneacetic acid-13C,18O2 is a stable isotope-labeled form of 3,4-Dihydroxybenzeneacetic acid, featuring both 13C and 18O isotopes. This compound serves as a key neuronal metabolite of dopamine and is crucial for studies investigating dopamine metabolism and its neurological implications. It is an essential tool for applications in metabolic research, tracer studies, and analytical methods in biological samples.

Tazarotenic acid-13C2,d2 is an isotope-labeled derivative of Tazarotenic acid, featuring both carbon-13 and deuterium isotopes. This compound interacts with retinoic acid receptors (RARs), which are crucial in modulating retinoid biological activity. Tazarotenic acid-13C2,d2 is valuable for studies related to warty dyskeratoma and provides insights into the metabolic pathways and pharmacodynamics of retinoids.

N,O-Didesmethylvenlafaxine-d3 is a deuterium-labeled metabolite of Venlafaxine, functioning as a stable isotope. This compound serves as a valuable tool for pharmacokinetic studies, allowing for the quantification of Venlafaxine metabolism and its effects on serotonin and norepinephrine reuptake inhibition. It is widely employed in biological research to investigate the pharmacological profile and therapeutic implications of Venlafaxine and its metabolites.

4-Hydroxynonenal-d3 is a deuterated form of 4-Hydroxynonenal, an α,β-unsaturated hydroxyalkenal recognized as a biomarker for oxidative and nitrosative stress. It serves as both a substrate and an inhibitor of acetaldehyde dehydrogenase 2 (ALDH2), influencing various signaling pathways by forming covalent adducts with nucleophilic sites in proteins, nucleic acids, and membrane lipids. As a significant player in cancer biology, 4-Hydroxynonenal impacts mitochondrial function and cellular signaling processes, making it valuable for research in oxidative stress and its implications in disease.

Quinoline-2-carboxylic acid-d6 is a stable isotope-labeled derivative of Quinoline-2-carboxylic acid. This compound has demonstrated antidiabetic activity and is utilized as a drug intermediate in the synthesis of various bioactive molecules. It is valuable for metabolic studies and can aid in tracking the fate of quinoline derivatives in biological systems.

Ethyl phenylglyoxylate-d5 is a deuterium-labeled derivative of Ethyl phenylglyoxylate, primarily functioning as a stable isotope for chemical research. This compound serves as a synthetic reagent and is recognized as a potent inhibitor of chicken liver carboxylesterase, despite being a poor substrate. Additionally, Ethyl phenylglyoxylate-d5 demonstrates photoreactivity; its excited triplet carbonyl can facilitate intermolecular hydrogen abstraction, radical coupling, and cross-linking reactions, making it valuable in various biochemical studies and synthetic applications.

3-Pyridinemethanol-d6 is a stable isotope-labeled form of 3-Pyridinemethanol, also known as nicotinyl alcohol. This compound serves as a cholesterol-lowering agent and is utilized in various biochemical research applications, particularly in metabolism and pharmacokinetics studies. The deuterium labeling enhances its utility in tracking metabolic pathways and understanding drug interactions in biological systems.

Entacapone-d10 is a deuterium-labeled version of Entacapone, a potent, reversible inhibitor of catechol-O-methyltransferase (COMT). This compound selectively inhibits COMT with IC50 values of 10 nM in rat brain, 20 nM in erythrocytes, and 160 nM in liver, demonstrating minimal interaction with other catecholamine metabolizing enzymes. Entacapone-d10 is utilized primarily in research related to Parkinson's disease and metabolic disorders, serving as an FTO demethylation inhibitor with an IC50 of 3.5 μM.

Abiraterone-d4, a deuterium-labeled derivative of Abiraterone, functions as a potent and irreversible inhibitor of the enzyme CYP17A1. By specifically targeting the cytochrome P450 enzyme CYP17, it effectively inhibits both 17α-hydroxylase and 17,20-lyase activities, displaying IC50 values of 2.5 nM and 15 nM, respectively. This reagent is crucial for studies investigating androgen synthesis pathways and the development of therapies for hormone-sensitive cancers.

Chlorzoxazone-d3 is a deuterated analog of Chlorzoxazone, which is a centrally acting muscle relaxant primarily targeting the spinal cord to alleviate muscle spasms and associated discomfort by suppressing reflexes. This labeled compound serves as a valuable marker substrate in both in vitro and in vivo studies to assess the activity of cytochrome P450 2E1 (CYP2E1) in human subjects, contributing to pharmacokinetic and toxicological research.

Bromobenzene-d5 is a deuterium-labeled analog of bromobenzene, an established environmental toxin. It predominantly targets cytochrome P450 enzymes, leading to the formation of reactive metabolites that induce oxidative stress, resulting in liver and kidney damage. This stable isotope is valuable for tracing studies and investigating metabolic pathways in toxicology and environmental research.

Methoxsalen-d3 is a deuterium-labeled derivative of Methoxsalen, which is a tricyclic furocoumarin that functions as a suicide inhibitor of cytochrome P-450 (CYP) enzymes. This compound is primarily utilized in the treatment of skin disorders such as psoriasis, eczema, and vitiligo, often in conjunction with ultraviolet light exposure. Methoxsalen-d3 serves as a valuable stable isotope for research applications that require precise tracking of metabolic pathways and CYP enzyme interactions.

Anastrozole-d12 is a deuterium-labeled analog of Anastrozole, serving as a stable isotope for research applications. Anastrozole functions as a potent and highly selective aromatase inhibitor, demonstrating an IC50 value of 15 nM against human placental aromatase. This compound is valuable for studying estrogen synthesis, alongside monitoring metabolic pathways and pharmacokinetic assessments in various biological systems.

2-Ethylhexyl (E)-3-(4-(methoxy-d3)phenyl)acrylate is a deuterium-labeled derivative of Octinoxate, functioning primarily as a thyroid hormone receptor agonist. This compound has been shown to decrease levels of triiodothyronine (T3) and thyroxine (T4), along with transcription levels of genes associated with type II deiodinase (deio2) in Japanese Medaka, supporting its role in endocrine research. Additionally, it is utilized as a UV filter in aquatic environments and exhibits inhibitory effects on CYP1A1 and CYP1B1, influencing hyaluronan metabolism through the PI3K pathway in human keratinocytes. Its anti-estrogenic and anti-androgenic properties have been demonstrated in both in vitro and in vivo studies, making it valuable for hormonal modulation research.

Veratrole-d4 is a deuterated stable isotope of Veratrole (1,2-Dimethoxybenzene), a significant compound prevalent in various plant species. This compound is integral to attracting pollinators and exhibits a circadian rhythm, influencing plant reproduction and species differentiation. Additionally, Veratrole can undergo demethylation through cytochrome P-450 in Streptomyces setonii, making Veratrole-d4 a valuable tool for research in plant biology and metabolic pathways.