Isotope-Labeled Compounds

Cyclobenzaprine-d6 is a deuterated analogue of Cyclobenzaprine, functioning primarily as a 5-HT2 receptor antagonist. This compound exhibits significant central nervous system activity, leading to skeletal muscle relaxation, alleviation of muscle spasms, and pain reduction. Additionally, Cyclobenzaprine demonstrates antiparasitic properties, making it a valuable tool for research in acute skeletal muscle disorders and the investigation of infectious diseases.

Arotinolol-d5 hydrochloride is a deuterated analog of Arotinolol, a nonselective α/β-adrenergic receptor blocker with vasodilatory properties. This compound exhibits notable activity in inhibiting the binding of the radioligand 125I-ICYP to 5HT1B serotonergic receptor sites. Arotinolol serves as an effective antihypertensive agent and is utilized in research related to various cardiovascular and non-cardiovascular diseases.

Cyclobenzaprine-13C,d3 hydrochloride is a stable isotope-labeled form of Cyclobenzaprine, incorporating both 13C and deuterium isotopes. This reagent is primarily utilized in isotopic labeling experiments, aiding in the study of pharmacokinetics and metabolic pathways. Its unique isotopic composition allows for precise tracking and analysis in biochemical research applications, making it a valuable tool for scientists investigating muscle relaxant dynamics and therapeutic efficacy.

Flibanserin-d4-1 is a deuterated form of Flibanserin, a full agonist of the serotonin 5-HT1A receptor (Ki=1 nM) and an antagonist of the 5-HT2A receptor (Ki=49 nM). Additionally, Flibanserin demonstrates binding affinity for dopamine D4 receptors (4-24 nM) while exhibiting minimal interactions with various other neurotransmitter receptors and ion channels. This compound is primarily utilized in research applications focused on hypoactive sexual desire disorder (HSDD) and the underlying mechanisms of serotonergic and dopaminergic signaling.

Lurasidone-d8 is a deuterium-labeled derivative of Lurasidone, which acts as an antagonist of dopamine D2 and 5-HT7 receptors, exhibiting IC50 values of 1.68 nM and 0.495 nM, respectively. Additionally, Lurasidone functions as a partial agonist at the 5-HT1A receptor with an IC50 of 6.75 nM. This stable isotope is utilized in biological research for tracing studies, pharmacokinetic profiling, and investigating receptor interactions.

Palonosetron-d3 hydrochloride is a deuterium-labeled derivative of Palonosetron hydrochloride, functioning primarily as a 5-HT3 receptor antagonist. It is widely utilized in research to investigate mechanisms of chemotherapy-induced nausea and vomiting and is known for its ability to prevent both acute and delayed episodes. Additionally, Palonosetron hydrochloride demonstrates moderate activity against flavivirus and potent efficacy against Zika virus in mammalian cells, contributing to its relevance in virology studies. Its potential antidepressant properties also make it a compound of interest in neuropharmacology research.

Ondansetron-d6 hydrochloride is a deuterated form of Ondansetron hydrochloride, acting as a selective antagonist of the serotonin 5-HT3 receptor. This stable isotope is primarily utilized in pharmacokinetic studies and metabolism research, offering insights into the pharmacodynamics and efficacy of Ondansetron in managing nausea and vomiting, particularly in chemotherapy settings. The incorporation of deuterium enables enhanced tracking of the compound in biological systems.

Loxapine-d8 is a stable isotope-labeled analog of Loxapine that incorporates deuterium atoms in its structure. This compound is valuable for metabolic studies and pharmacokinetic research, allowing for precise tracking of drug behavior in biological systems. Loxapine-d8 is particularly useful in studies involving neuroleptics and their effects on neurotransmitter systems, providing insights into psychiatric treatments.

Vortioxetine-d3 is a stable isotope labeled derivative of Vortioxetine, which primarily acts as an antagonist of the 5-HT3A and 5-HT7 receptors, exhibiting high affinity with Ki values of 3.7 nM and 19 nM, respectively. Additionally, it serves as a potent inhibitor of the serotonin transporter (SERT) with a Ki of 1.6 nM, and functions as a 5-HT1A agonist and a partial agonist at the 5-HT1B receptor, showing Ki values of 15 nM and 33 nM. This compound is valuable for pharmacokinetic studies and research related to serotonin modulation in various neurological and psychiatric disorders.

Vortioxetine-d8 is a deuterated analog of Vortioxetine, acting primarily as an antagonist of the 5-HT3A and 5-HT7 receptors while inhibiting the 5-hydroxytryptamine transporter (SERT). This stable isotope marker is crucial for pharmacokinetic studies and metabolic profiling of Vortioxetine. Additionally, it functions as a 5-HT1A agonist and partial 5-HT1B agonist, facilitating research into serotonin receptor interactions and their implications in mood disorders.

Tandospirone-d8 is a deuterated derivative of Tandospirone, a selective partial agonist of the 5-HT1A receptor with a Ki of 27 nM. This compound exhibits significant anxiolytic and antidepressant effects, making it valuable for studying central nervous system disorders. Tandospirone-d8 serves as a stable isotope for research into the pharmacokinetics and mechanisms of action associated with serotonergic modulation in neurological studies.

Ondansetron-d3 is a deuterium-labeled analog of Ondansetron, a highly selective antagonist of the 5-HT3 receptor with an IC50 value of 103 pM. It effectively antagonizes serotonin receptors in both peripheral and central nervous systems, providing significant antiemetic activity. Ondansetron-d3 is utilized in pharmacokinetic studies to trace the metabolic pathways of Ondansetron and to explore its efficacy in preventing nausea and vomiting associated with chemotherapy and radiotherapy.

Cariprazine-d8 is a deuterated form of Cariprazine, a novel antipsychotic agent primarily targeting dopamine D3 and D2 receptors with high affinities of Ki = 0.085 nM and Ki = 0.49 nM, respectively. It also shows moderate affinity for the serotonin receptor 5-HT1A (Ki = 2.6 nM). This stable isotope-labeled compound enables enhanced pharmacokinetic studies and metabolic profiling in research applications, contributing valuable insights into therapeutic mechanisms and drug interactions.

(Rac)-Rotigotine-d3 hydrochloride is a deuterium-labeled analog of (Rac)-Rotigotine, primarily acting as a full agonist at dopamine receptors. It also serves as a partial agonist of the 5-HT1A receptor and acts as an antagonist at the α2B-adrenergic receptor, showcasing Ki values of 0.71 nM, 4-15 nM, and 83 nM for the respective targets. This stable isotope is vital for pharmacokinetic studies, isotope labeling experiments, and research related to neuropharmacology.

Serotonin-13C,D4 (5-Hydroxytryptamine-13C,D4) is a stable isotope-labeled form of serotonin, featuring carbon-13 and deuterium isotopes. As a monoamine neurotransmitter, it serves as an endogenous agonist of 5-HT receptors in the central nervous system (CNS). Additionally, Serotonin-13C,D4 acts as a catechol O-methyltransferase (COMT) inhibitor, demonstrating a Ki value of 44 μM. This reagent is valuable for research in neurobiology, pharmacology, and metabolic studies involving serotonin signaling and metabolism.

Buspirone-d8 hydrochloride is a stable isotope-labeled form of Buspirone hydrochloride, a well-established anxiolytic drug. It primarily targets serotonin receptors, contributing to its effects in alleviating anxiety symptoms. This compound is commonly utilized in pharmacokinetic studies, allowing researchers to trace the metabolic pathways and analyze the pharmacodynamics of Buspirone in the context of anxiety disorders.

Levosulpiride-d3 is a deuterium-labeled form of Levosulpiride, the (S)-enantiomer of sulpiride. It acts as a D2 receptor antagonist and belongs to the benzamide class of atypical antipsychotic agents. This stable isotope is valuable in pharmacokinetic studies and tracer-based research to explore the metabolic pathways and biological interactions of Levosulpiride in various biological systems.

(±)-Penbutolol-d9 is a deuterated form of (±)-Penbutolol, functioning as a stable isotope used in pharmacokinetic studies. It serves as an internal standard in quantitative analyses, enhancing the precision of measurements in biological samples. This compound is integral for research applications focused on drug metabolism, pharmacology, and toxicology, allowing for improved understanding of the compound's behavior in biological systems.

Paliperidone-d4 is the deuterated form of Paliperidone, a major active metabolite of Risperidone, acting as a dopamine D2 antagonist and 5-HT2A antagonist. This compound also exhibits antagonistic properties at alpha-1 and alpha-2 adrenergic receptors as well as H1-histaminergic receptors. Paliperidone's primary application is in the treatment of schizophrenia, making it valuable for pharmacological research and development of antipsychotic therapies.

Agomelatine-d4 is a deuterium-labeled analog of Agomelatine, which serves as a selective agonist for the melatonin receptors MT1 and MT2. It exhibits high affinity with Ki values of 0.1 nM, 0.06 nM, 0.12 nM, and 0.27 nM for CHO-hMT1, HEK-hMT1, CHO-hMT2, and HEK-hMT2, respectively. Additionally, Agomelatine acts as a selective antagonist of the 5-HT2C receptor, with pKi values of 6.4 and 6.2 at porcine and human cloned 5-HT2C receptors. This stable isotope-labeled reagent is valuable for studies involving melatonin receptor signaling and serotonergic pharmacology.

Alverine-d5 citrate is a deuterium-labeled derivative of Alverine citrate, primarily utilized as a stable isotope tracer in biochemical research. This reagent is essential for studies involving metabolic pathways and pharmacokinetics, allowing precise tracking of molecular interactions within biological systems. Its incorporation into experimental designs facilitates enhanced understanding of drug mechanisms and effects in vivo.

Iloperidone-d3 is a deuterated form of Iloperidone, a D2 and 5-HT2 receptor antagonist. This compound serves as an atypical antipsychotic, primarily utilized for the treatment of schizophrenia symptoms. As a stable isotope, Iloperidone-d3 is valuable for isotopic labeling studies and metabolic research.

Cyclobenzaprine-d3 hydrochloride is a stable isotope-labeled form of Cyclobenzaprine hydrochloride, which acts as a skeletal muscle relaxant and a central nervous system (CNS) depressant. This reagent is primarily used in pharmacokinetic studies, involving the investigation of drug metabolism and distribution in biological systems. Its deuterium labeling enhances analytical sensitivity and precision in research applications.

Cyamemazine-d6 is a deuterated derivative of Cyamemazine, a neuroleptic agent characterized by its phenothiazine structure. This compound functions primarily as a potent antagonist of the 5-HT3 (Ki of 12 nM), 5-HT2A (Ki of 1.5 nM), and 5-HT2C (Ki of 75 nM) receptors, exhibiting notable anxiolytic and antipsychotic properties. Cyamemazine-d6 serves as a valuable stable isotope for studies involving pharmacokinetics, trace labeling, and metabolic research in the context of psychiatric disorders.

Diclofensine-d3 (hydrochloride) is a deuterium-labeled derivative of Diclofensine hydrochloride, a selective neuronal monoamine uptake inhibitor. It effectively inhibits the reuptake of dopamine, noradrenaline, and serotonin, exhibiting IC50 values of 0.74, 2.3, and 3.7 nM, respectively. This compound is instrumental in studying mechanisms underlying mood disorders, as it demonstrates psychostimulant properties while avoiding withdrawal reactions. It is suitable for research focused on moderate to severe depression and associated neurochemical pathways.

Almotriptan (hydrochloride)-d6 is a deuterium-labeled analog of Almotriptan, a selective agonist for the 5-HT1B and 5-HT1D serotonin receptors. It exhibits potent activity in alleviating migraine symptoms through the modulation of vascular tone and neurotransmitter release. This stable isotope compound is suited for pharmaceutical research, particularly in pharmacokinetic studies, metabolic profiling, and mechanistic investigations involving serotonin receptor interactions.

Sumatriptan-d6 is a stable isotope of Sumatriptan, a selective agonist of the 5-HT1 receptor subtypes. With inhibitory constants (Kis) of 17 nM, 27 nM, and 100 nM for the 5-HT1D, 5-HT1B, and 5-HT1A receptors, respectively, this reagent is crucial for studies involving serotonergic pathways. Sumatriptan-d6 is employed in pharmacokinetic and metabolic research, particularly in investigations of migraine headache mechanisms and treatments.

Mosapride-d5 is a deuterium-labeled derivative of Mosapride, a gastroprokinetic agent that selectively activates 5HT4 serotonin receptors. This stable isotope-labeled compound is valuable for pharmacokinetic studies, enabling precise investigations into the metabolism and distribution of Mosapride in biological systems. Its applications extend to drug development and behavioral neuroscience research, facilitating a deeper understanding of gastrointestinal motility mechanisms.

Prucalopride-13C,d3 is a stable isotope-labeled form of Prucalopride, featuring carbon-13 and deuterium isotopes. It serves as an invaluable tool for metabolic studies and pharmacokinetic research, allowing for precise tracking of the compound's distribution and metabolism in biological systems. This reagent is essential for researchers investigating the efficacy and mechanisms of action of Prucalopride in gastrointestinal disorders.

Scopolamine-d3 hydrobromide is a deuterium-labeled derivative of the muscarinic antagonist scopolamine. It effectively crosses the blood-brain barrier and is known to competitively antagonize 5-HT3 receptors with an IC50 of 2.09 μM. This reagent is utilized in research investigating cognitive and memory deficits, as well as applications related to postoperative nausea and vomiting, motion sickness, and various nervous system disorders.

Gepirone-d8 is a deuterium-labeled derivative of Gepirone, designed for use as a stable isotope in scientific research. This reagent can assist in pharmacokinetic studies and metabolic research involving gepirone and related compounds. Its stable isotope labeling facilitates quantification and tracing in biological systems, making it a valuable tool for understanding drug behavior and metabolism.

Tamoxifen-d5 is a deuterated form of Tamoxifen, a selective estrogen receptor modulator (SERM) known for its oral bioavailability. This compound acts as a potent activator of Heat Shock Protein 90 (Hsp90), enhancing its ATPase activity, which is crucial for protein folding and cellular response to stress. Tamoxifen-d5 is valuable in research focusing on hormone-responsive cancers, Hsp90-dependent pathways, and pharmacokinetic studies involving deuterium labeling.

L-Asparagine-13C4 monohydrate is a stable isotope-labeled form of L-Asparagine, specifically designated for metabolic tracing applications. This amino acid is critical for leukemic cell survival and serves as a substrate for L-Asparaginase, an enzyme that depletes asparagine and glutamine, thereby inhibiting protein biosynthesis and inducing apoptosis in lymphoblasts. The utilization of L-Asparagine-13C4 can facilitate research into the mechanisms of acute lymphoblastic leukemia, making it a valuable tool for understanding cancer cell metabolism and exploring potential therapeutic strategies.

Ketoprofen-d3 is a deuterium-labeled derivative of Ketoprofen, a non-steroidal anti-inflammatory drug (NSAID) that serves as a highly effective inhibitor of cyclooxygenases (COX). It demonstrates potent activity against COX-1 and COX-2, with IC50 values of 2 nM and 26 nM, respectively, in human blood monocytes. This stable isotope is particularly useful for pharmacokinetic studies, metabolism studies, and tracking drug interactions within biological systems.

5-Aminolevulinic acid-d2 hydrochloride is a deuterium-labeled stable isotope of 5-Aminolevulinic acid that serves as a precursor in porphyrin and heme biosynthesis. This reagent is utilized in metabolic studies to investigate the mechanisms of heme synthesis and its regulatory pathways. Its stable isotope labeling allows for precise tracking and quantification in various biological assays, making it valuable for research in biochemistry and pharmacology.

Dimethoate-d6 is a deuterium-labeled analogue of Dimethoate, an organophosphate insecticide and acaricide. It functions primarily as an acetylcholinesterase inhibitor, leading to enhanced neurotransmitter activity. This compound demonstrates significant biological activities, including the induction of reactive oxygen species (ROS), DNA damage, and cell apoptosis in vivo. Additionally, Dimethoate-d6 has been shown to affect immune system responses in murine models, making it a valuable tool for research in toxicology and environmental sciences.

12-HETE-d8 is a deuterated form of 12-HETE, a significant metabolite of arachidonic acid produced via 12-lipoxygenase (12-LOX) catalysis. This compound plays a critical role in modulating cell apoptosis in a dose-dependent manner, facilitating the activation and nuclear translocation of NF-κB through the integrin-linked kinase (ILK) pathway. 12-HETE-d8 serves as a valuable tool in research focusing on its dual anti-thrombotic and pro-thrombotic effects, as well as its function as a neuromodulator in various biological contexts.

Propylparaben-d4 is a deuterated form of Propylparaben, an antimicrobial preservative known for its use in cosmetics, pharmaceuticals, and food products. This compound primarily targets cellular pathways involved in antral follicle growth and steroidogenesis, disrupting normal cellular functions such as the cell cycle and apoptosis. Research indicates that Propylparaben can adversely affect reproductive biology, demonstrated by decreased sperm count and motility in animal models. Its unique isotopic labeling makes Propylparaben-d4 a valuable tool for studying metabolic pathways and environmental impact assessments.

Melatonin-d7 is a stable isotope-labeled form of melatonin, primarily known for its role as a hormone that activates melatonin receptors. This compound exhibits significant antioxidative and anti-inflammatory effects, contributing to sleep regulation. Additionally, melatonin-d7 is identified as a selective inhibitor of ATF-6, inducing apoptosis in human hepatoma cells through the downregulation of COX-2. In research applications, it has been shown to mitigate palmitic acid-induced apoptosis in mouse granulosa cells by modulating endoplasmic reticulum stress.

2-Deoxy-D-glucose-13C is a stable isotope-labeled form of 2-Deoxy-D-glucose, a glucose analog that acts as a competitive inhibitor of glucose metabolism. It selectively inhibits glycolysis by targeting hexokinase, thereby disrupting normal cellular energy production. This reagent is valuable for metabolic studies, tracing glucose utilization, and investigating cellular metabolic pathways in research applications.

4-Hydroperoxy Cyclophosphamide-d4 is a deuterium-labeled derivative of 4-Hydroperoxy cyclophosphamide, a crucial active metabolite of the chemotherapeutic agent Cyclophosphamide. This compound exerts its biological activity by crosslinking DNA and inducing T cell apoptosis through mechanisms that do not involve death receptor activation, while also activating mitochondrial death pathways via the generation of reactive oxygen species (ROS). Research applications for 4-Hydroperoxy Cyclophosphamide-d4 include studies on lymphomas and autoimmune disorders, facilitating a better understanding of its therapeutic potential and mechanisms of action.

Amitriptyline-d6 hydrochloride is a deuterium-labeled form of the tricyclic antidepressant amitriptyline hydrochloride, primarily targeting the serotonin transporter (SERT) and norepinephrine transporter (NET) to enhance levels of serotonin and norepinephrine in the synaptic cleft. This compound exhibits key biological activities, including antidepressant, analgesic, and neurotrophic effects, due to its interaction with various receptors such as α2A, TrkA, and TrkB. Additionally, it demonstrates anti-inflammatory properties and influences cellular processes such as angiogenesis and apoptosis. Amitriptyline-d6 hydrochloride can be utilized in research applications related to antidepressant pharmacology and the study of receptor interactions.

Imipramine-d4 hydrochloride is a deuterium-labeled form of the tricyclic antidepressant, Imipramine hydrochloride. This compound primarily acts as a Fascin1 inhibitor, exhibiting notable antitumor activity. Additionally, Imipramine-d4 hydrochloride inhibits the serotonin transporter with an IC50 of 32 nM and has been shown to stimulate autophagy in U-87MG glioma cells while inducing apoptosis in HL-60 cells. Its neuroprotective and immunomodulatory properties further enhance its relevance in various biological research applications.

Methylisothiazolinone-d3 hydrochloride is a deuterium-labeled derivative of Methylisothiazolinone hydrochloride, serving as a stable isotope for research applications. It acts as a bacterial and fungal inhibitor and preservative, while also functioning as a sensitizer. This compound is known to activate matrix metalloproteinases (MMPs) in human bronchial epithelial cells, leading to apoptosis and an inflammatory response. Additionally, Methylisothiazolinone can promote atopic dermatitis development in murine models by interfering with Th2/Th17 immune pathways and can induce mitochondrial damage in the endothelium of rat cerebral blood vessels.

Adenosine-13C10,15N5 is a stable isotope-labeled form of adenosine, incorporating 13C and 15N isotopes. As a naturally occurring endogenous autacoid, adenosine exerts its effects primarily through the activation of G protein-coupled receptors A1, A2A, A2B, and A3. Its diverse biological activities influence critical processes such as neuronal signaling, vascular tone, platelet aggregation, and immune regulation. This reagent is valuable for research applications involving metabolic studies, signaling pathways, and pharmacokinetic analyses of adenosine-related compounds.

Amantadine-d15 is a deuterium-labeled analogue of Amantadine, primarily utilized in stable isotope studies. Amantadine is an antiviral compound that exhibits efficacy against influenza A viruses by obstructing proton flow through the M2 ion channel, thereby inhibiting the release of viral RNA into the host cell cytoplasm. Additionally, it serves as an antiparkinsonian agent, contributing to its therapeutic applications in neurological research.

Benzyl salicylate-d4 is a deuterium-labeled derivative of benzyl salicylate, which is a salicylic acid benzyl ester. This stable isotope is utilized primarily in analytical chemistry and biological research to provide isotopic labeling for mass spectrometry studies. Its applications include the investigation of fragrance compounds and the assessment of UV light absorption properties in various formulations.

DL-Cystathionine-d4 is a deuterium-labeled stable isotope of DL-Cystathionine, which consists of a mixture of four isomers of cystathionine and allocystathionine. This compound plays a crucial role as an intermediate in the biosynthetic pathway of the amino acid cysteine. Additionally, DL-Cystathionine-d4 serves as an important standard for the quantification of tissue levels of cystathionine in metabolic studies and analytical applications.

Linalool-d3 is a deuterium-labeled form of Linalool, a natural monoterpene found in essential oils, such as coriander. This compound serves as a competitive antagonist of the N-methyl D-aspartate (NMDA) receptor, exhibiting notable anti-tumor and anti-cardiotoxic properties. Additionally, Linalool acts as a ligand for PPARα, leading to reduced plasma triglyceride levels and alterations in the hepatic transcriptome and plasma metabolome. It is valuable for research applications in pharmacology and metabolic studies.

Sodium propionate-13C is a stable isotope of the short-chain fatty acid sodium propionate, which acts primarily through the activation of PPAR-γ and inhibition of NF-κB signaling pathways. This compound exhibits significant biological activities, including induction of apoptosis and autophagy, as well as reductions in COX-2 expression and nitric oxide production. Key research applications include investigating its neuroprotective and antioxidant properties, along with its potential anticancer effects against glioblastoma. Additionally, sodium propionate-13C can be utilized in studies focused on spinal cord injury and Alzheimer's disease.