Isotope-Labeled Compounds

DMT-dA(bz) Phosphoramidite-13C10,15N5 is a stable isotope-labeled reagent incorporating carbon-13 and nitrogen-15 isotopes into the DMT-dA(bz) phosphoramidite structure. This compound serves as a key building block in the synthesis of DNA, enabling researchers to investigate biochemical processes and molecular interactions involving nucleic acids. Its isotopic labeling allows for advanced applications such as NMR spectroscopy and tracking studies in various biological systems.

Docosanoic acid-d2 is a deuterated derivative of docosanoic acid, a long-chain saturated fatty acid. This compound is utilized as a stable isotope for various biochemical analyses. Docosanoic acid has been shown to inhibit the double-stranded DNA (dsDNA) binding activity of the p53 DNA binding domain, demonstrating a binding affinity (Kd) of 12 nM. Research indicates that docosanoic acid may affect cholesterol levels in humans and has low bioavailability, making it a valuable tool in studies involving lipid metabolism.

N-Nitrosonornicotine-d4 is a deuterium-labeled derivative of the tobacco-specific nitrosamine N-Nitrosonornicotine, known for its carcinogenic and mutagenic properties. This compound primarily serves as a stable isotope for use in analytical studies. It has been shown to induce micronuclei in C3A cells and is capable of forming DNA adducts, making it valuable for cancer research and toxicology investigations.

Levofloxacin-d3 hydrochloride is a deuterium-labeled derivative of the antibiotic levofloxacin. This compound acts primarily by inhibiting DNA gyrase and topoisomerase IV, effectively targeting both Gram-positive and Gram-negative bacteria. It exhibits significant biological activity in various research applications, including studies on chronic periodontitis, airway inflammation, and BK viremia, as well as demonstrating anti-orthopoxvirus properties.

DMT-dT Phosphoramidite-13C is a stable isotope-labeled derivative of DMT-dT Phosphoramidite, containing carbon-13. This compound is primarily utilized in the synthesis of DNA, enabling the incorporation of isotopic labels for tracing experiments. Its application extends to studies involving nucleic acid structure and dynamics, facilitating advanced research in molecular biology and biochemistry.

Folic acid-13C6 is a stable isotope-labeled form of folic acid (Vitamin B9), an essential nutrient in the B complex group. It plays a crucial role in neurological health, exhibiting antidepressant-like effects and reducing the risk of neonatal neural tube defects. This compound is widely utilized in research focused on megaloblastic and macrocytic anemias associated with folic acid deficiency, providing valuable insights into metabolic pathways and nutrient utilization in biological systems.

Docosanoic acid-d4 is a deuterated derivative of Docosanoic acid (Behenic acid), a long-chain saturated fatty acid. This isotope-labeled compound is utilized for stable isotope labeling applications in biochemical research. Docosanoic acid is known to inhibit the double-stranded DNA binding activity of the p53 DNA binding domain, exhibiting a dissociation constant (Kd) of 12 nM. Additionally, it has been associated with increased cholesterol levels in humans, making it relevant in studies of lipid metabolism and cellular functions.

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.

Udenafil-d7 is a deuterium-labeled analogue of Udenafil, a selective and potent inhibitor of phosphodiesterase type 5 (PDE5). This stable isotope enhances the study of Udenafil's pharmacokinetics and metabolism through isotopic labeling techniques. Udenafil-d7 is primarily used in research related to erectile dysfunction and serves as a valuable tool for elucidating the molecular mechanisms underlying PDE5 inhibition.

N-Desmethyl Sildenafil-d8 is a deuterium-labeled form of N-Desmethyl Sildenafil, a significant metabolite of Sildenafil. This compound acts primarily as a potent inhibitor of phosphodiesterase type 5 (PDE5), which plays a critical role in regulating nitric oxide signaling pathways. N-Desmethyl Sildenafil-d8 is useful in pharmacokinetic studies and metabolic research, providing insights into the metabolism and biological activity of Sildenafil in various biological systems.

Xanthoanthrafil-d3 is a deuterium-labeled derivative of Xanthoanthrafil, a selective inhibitor of phosphodiesterase-5 (PDE5) with an IC50 of 3.95 ng/mL. This reagent is primarily utilized in studies related to erectile dysfunction, facilitating research on PDE5 inhibition and its physiological implications. The stable isotope labeling enhances the compound's tracing capabilities in biochemical studies, making it a valuable tool for researchers investigating the pharmacodynamics and pharmacokinetics of PDE5 inhibitors.

Roflumilast-d3 is a deuterium-labeled derivative of Roflumilast, a selective phosphodiesterase 4 (PDE4) inhibitor. It exhibits high specificity 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 showing no inhibition on PDE1, PDE2, PDE3, or PDE5 isoenzymes. This stable isotope is valuable for research applications involving the study of PDE4-dependent signaling pathways and drug metabolism.

Ibudilast-d7 is a deuterium-labeled derivative of Ibudilast, a selective phosphodiesterase (PDE) inhibitor that modulates cyclic AMP levels. This compound exhibits notable platelet anti-aggregatory effects and is relevant in asthma research due to its inhibitory impact on tracheal smooth muscle contractility. Furthermore, Ibudilast is investigated for its potential neuroprotective and anti-dementia properties, particularly in countering neurotoxicity associated with activated microglia.

Ibudilast-d7-1 is a stable isotope-labeled derivative of Ibudilast, a known phosphodiesterase (PDE) inhibitor that modulates cyclic AMP levels. It exhibits platelet anti-aggregatory properties and is utilized in research concerning asthma, particularly for its inhibitory effects on tracheal smooth muscle contraction. Additionally, Ibudilast has potential neuroprotective effects and may serve as an anti-dementia agent by mitigating neurotoxicity in activated microglia.

Vardenafil-d5 is a deuterium-labeled derivative of Vardenafil, a potent and selective inhibitor of phosphodiesterase-5 (PDE5) with an IC50 of 0.7 nM. It exhibits high selectivity for PDE5 over other phosphodiesterases, including PDE1 (180 nM) and PDE6 (11 nM). By competitively inhibiting the hydrolysis of cyclic guanosine monophosphate (cGMP), Vardenafil-d5 effectively elevates cGMP levels. This reagent is valuable for research applications related to erectile dysfunction.

Milrinone-d3 is a deuterium-labeled derivative of Milrinone, primarily targeting phosphodiesterase 3 (PDE3). This compound functions as both an inotropic agent and a vasodilator, enhancing cardiac contractility and promoting vascular relaxation. Milrinone-d3 is valuable for studies involving drug metabolism, pharmacokinetics, and the mechanistic exploration of PDE3 inhibition in cardiovascular research.

Flavoxate-d5 is a deuterated analog of Flavoxate, serving as a stable isotope. This compound is primarily utilized in pharmacokinetic studies and analytical chemistry to trace metabolic pathways, as well as in the investigation of drug interactions. Its unique isotopic labeling facilitates higher precision in mass spectrometry applications, enhancing the understanding of Flavoxate's biological activity and pharmacological profile.

Vinpocetine-d5 is a deuterium-labeled derivative of Vinpocetine, which primarily inhibits voltage-gated sodium channels. It serves as a phosphodiesterase (PDE) inhibitor, effectively disrupting NF-κB-dependent inflammatory responses by directly targeting the IκB kinase complex (IKK), with an IC50 of 17.17 μM in a cell-free system. This compound is valuable in research related to cerebrovascular disorders and inflammation, enabling the tracking and analysis of Vinpocetine's biological effects in various applications.

Crisaborole-d4 is a deuterium-labeled analog of Crisaborole, a selective inhibitor of phosphodiesterase 4 (PDE4). This compound exhibits potent pharmacological activity, demonstrated by its ability to inhibit PDE4 with an IC50 of 0.49 μM, leading to reduced cytokine release. Crisaborole-d4 can be utilized in biochemical research to study PDE4-related pathways and the role of cyclic AMP in inflammation and immune responses.

Avanafil-13C,d3 is a stable isotope-labeled analog of Avanafil, incorporating both carbon-13 and deuterium isotopes. This compound is designed for use in pharmacokinetic studies and metabolic research, allowing for the precise tracking of compound distribution and metabolism in biological systems. Its stable isotopic labeling enhances the accuracy of analytical methods, facilitating detailed investigations into the pharmacodynamics and biochemical pathways associated with Avanafil.

Triflusal-d3 is a deuterated derivative of Triflusal that serves as a stable isotope for analytical research. It functions as a dual inhibitor of Cyclooxygenase-1 (COX-1) and cAMP phosphodiesterase, demonstrating significant anti-inflammatory properties by inhibiting platelet aggregation and prostaglandin synthesis in ischemic tissues. Triflusal-d3 also enhances neutrophil nitric oxide production and promotes endothelial nitric oxide synthase (eNOS) expression. Its applications extend to the study of thromboembolic and ischemic cardiovascular diseases, as well as Alzheimer's disease models, providing insights into neurological and vascular pathologies.

Exatecan-d5 mesylate is a deuterium-labeled derivative of Exatecan mesylate, functioning as a selective DNA topoisomerase I inhibitor. With an IC50 value of 2.2 μM, it effectively interferes with DNA replication and transcription processes. This reagent is valuable for cancer research, particularly in studies evaluating the mechanisms of action and resistance related to topoisomerase I-targeted therapies.

Paclitaxel-d5 is a deuterium-labeled derivative of Paclitaxel, a potent antineoplastic agent that promotes the stabilization of tubulin polymerization. This stable isotope variant is primarily utilized in pharmacokinetic studies to trace the metabolism and distribution of Paclitaxel in biological systems. Its application is essential for understanding the compound's therapeutic dynamics and potential interactions in oncology research.

Exatecan Intermediate 1-d5 is a deuterium-labeled derivative of Exatecan Intermediate 1, designed for use as a stable isotope in various biochemical studies. This compound serves as a valuable tool in pharmacokinetic and metabolic research, allowing for enhanced tracking of drug metabolism and distribution in biological systems. Its isotopic labeling aids in quantitative analysis and helps elucidate molecular interactions, making it a crucial reagent in the investigation of antitumor agents and related therapeutics.

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.