Carbon-13 Labeled Compounds

Phenol-13C6 是一种 13C 标记的 Phenol。Phenol 是一种重要的化化工原材料，可用用于制造杀菌剂和除草剂。

L-Lysine-13C6-15N2 Hydrochloride 是一种 13C 和 15N 标记的 L-Lysine hydrochloride。L-lysine hydrochloride 是人类必需的氨基酸，也是一种常见的食品添加剂，需要通过饮食摄入。L-lysine hydrochloride 可刺激胃蛋白酶与胃酸的分泌，提高胃液分泌功效，促进幼儿生长与发育。

L-Leucine-1-13C (L-Leucine-13C)是一种 13C 标记的 L-Leucine，显著增强了 GLP-4 的亲和力。

Vancomycin-C13,D3 是一种由 13C 和 2H 标记的化合物。Vancomycin 是一种糖肽类抗生素，可以通过改变细胞膜的渗透性并选择性地抑制核糖核酸的合成以发挥抗菌活性。

Apalutamide-13C-d3 (RN-509-13C,d3) 是一种 13C 和 2H 标记的 Apalutamide。Apalutamide 是高效性的雄激素受体 (AR) 拮抗剂，可用于研究前列腺疾病。

Riluzole-13C,15N2 (PK 26124-13C,15N2) 是 13C 和 15N 标记的 Riluzole。 Riluzole 是一种谷氨酸拮抗剂，具有抗惊厥活性，抑制 GABA 摄取，可用于研究肌萎缩侧索硬化症。

Nicergoline-13C-d3 是 Nicergoline 的 13C 和氘代化合物。Nicergoline 的 CAS 号为 27848-84-6。Nicergoline 是一种有效的，选择性的、具有口服活性的α1A-肾上腺素能受体拮抗剂，是一种溴烟碱酸的麦角林衍生物。它具有血管舒张作用，可以改善阿尔茨海默症小鼠的认知功能。

Roxadustat-13C-15N 是 Roxadustat 的 13C 和 15N 的标记化合物。

Benzophenone-13C (carbonyl-13C) 是 Benzophenone 的 13C 的标记化合物。Benzophenone 的 CAS 号为 119-61-9。

Riociguat-13C-d6 是 Riociguat 的 13C 和氘代化合物。Riociguat 的 CAS 号为 625115-55-1。Riociguat 是一种鸟苷酸环化酶的刺激剂，可导致血管平滑肌松弛，用于治疗严重的肺动脉高压。

Sofosbuvir-13C-d3 是 Sofosbuvir 的 13C 和氘代化合物。Sofosbuvir 的 CAS 号为 1190307-88-0。Sofosbuvir 是一种丙型肝炎病毒聚合酶 NS5B 的尿苷单磷酸类似物抑制剂，用作治疗慢性丙型肝炎的抗病毒剂。

Taltirelin-13C-d3 是 Taltirelin 的 13C 和氘代化合物。Taltirelin 的 CAS 号为 103300-74-9。Taltirelin 是促甲状腺激素释放激素受体(TRH-R)超激动剂(IC50:910 nM)，能够刺激细胞溶质Ca2+浓度增加 (Ca2+释放) (EC50:36 nM)。

13C-d3-AOH1996 是 AOH1996 的 13C 和氘代化合物。AOH1996 的 CAS 号为 2089314-64-5。AOH1996 是一种具有口服活性的复制体组分 PCNA (增殖细胞核抗原) 配体，靶向转录-复制冲突 (TRC)。AOH1996 可干扰 PCNA 与其结合蛋白的相互作用，导致 DNA 复制应激，诱导细胞凋亡 (apoptosis)。AOH1996 通过稳定 PCNA 和 RNA 聚合酶 II 的相互作用从而导致蛋白酶体依赖的 rpb1 降解和致命的 DNA 损伤。AOH1996 与 DNA 损伤剂具有协同作用，可抑制肿瘤细胞生长。

Vadadustat-13C2-15N 是 Vadadustat 的 13C 和 15N 的标记化合物。Vadadustat 的 CAS 号为 1000025-07-9。Vadadustat 是一种可滴定口服的缺氧诱导因子脯氨酰羟化酶 (HIF-PH) 抑制剂，是一种促红细胞生成剂，在动物慢性肾脏疾病模型中，有用于贫血的研究潜力。

L-Homocysteine-d4 是一种氘代标记的 L-Homocysteine。

Cefotaxime-d3 是一种氘标记的 Cefotaxime，其为对 β-内酰胺酶稳定的头孢菌素，属于第三代头孢菌素抗生素，具有对多种革兰氏阳性菌及革兰氏阴性菌的广谱抗生素活性。

Moxifloxacin-d4 hydrochloride (BAY 12-8039-d4) 是氘标记 Moxifloxacin 的盐酸盐。Moxifloxacin 是一种口服有效的抗菌剂，用于研究急性细菌性鼻窦炎、慢性支气管炎的急性细菌性加重和感染性肺炎。

Oleic acid-13C is intended for use as an internal standard for the quantification of oleic acid by GC- or LC-MS. Oleic acid is a monounsaturated fatty acid and a major component of membrane phospholipids that has been found in human plasma, cell membranes, and adipose tissue.1,2 It contributes approximately 17% of the total fatty acids esterified to phosphatidylcholine, the major phospholipid class in porcine platelets.1 Oleic acid inhibits collagen-stimulated platelet aggregation by approximately 90% when used at a concentration of 10 μg ml. It also inhibits fMLF-induced neutrophil aggregation and degranulation by 55 and 68%, respectively, when used at a concentration of 5 μM, similar to arachidonic acid .3 Oleic acid (60 μM) induces release of intracellular calcium in human platelets.4

5-Fluorouracil-13C,15N2 is intended for use as an internal standard for the quantification of 5-flurouracil by GC- or LC-MS. 5-Fluorouracil is a pyrimidine analog that irreversibly inhibits thymidylate synthase, blocking the synthesis of thymidine which is required for DNA synthesis. Intracellular metabolites of 5-fluorouracil exert cytotoxic effects by either inhibiting thymidylate synthetase, or through incorporation into RNA and DNA, ultimately initiating apoptosis.

Avanafil-13C-d3 是 Avanafil 的 13C 和氘代化合物。Avanafil 的 CAS 号为 330784-47-9。Avanafil 是一种高活性PDE-5抑制剂，IC50=5.2 nM，对PDE1，PDE6和PDE11活性较低。

3,3',5-Triiodothyronine-(tyrosine ring-13C6) 是 3,3',5-Triiodothyronine 的 13C 的标记化合物。3,3',5-Triiodothyronine 的 CAS 号为 5817-39-0。

Alosetron-13C-d3 是 Alosetron 的 13C 和氘代化合物。Alosetron 的 CAS 号为 122852-42-0。

5-Hydroxy Saxagliptin-13C-d2 HCl 是 5-Hydroxy Saxagliptin HCl 的 13C 和氘代化合物。5-Hydroxy Saxagliptin HCl 的 CAS 号为 841302-24-7。

1,2,3-Trioctanoyl-rac-glycerol-13C3 is intended for use as an internal standard for the quantification of 1,2,3-trioctanoyl-rac-glycerol by GC- or LC-MS. 1,2,3-Trioctanoyl-rac-glycerol is a triacylglycerol that contains octanoic acid at the sn-1, sn-2, and sn-3 positions. Dietary administration of 1,2,3-trioctanoyl-rac-glycerol increases hippocampal levels of the glycolytic metabolites glucose 6-phosphate, fructose 6-phosphate, and β-hydroxybutyrate and the seizure threshold in the 6 Hz psychomotor seizure test in mice.1 Formulations containing 1,2,3-trioctanoyl-rac-glycerol have been used in cosmetic products as thickening and skin-conditioning agents.

2,4-Dichlorophenol-13C6 是 2,4-Dichlorophenol 的 13C 和氘代化合物。2,4-Dichlorophenol 的 CAS 号为 120-83-2。2,4-Dichlorophenol 是除草剂 2,4-二氯苯氧乙酸 (2,4-D) 的前体。

trans-Hydroxy Loxoprofen-13C-d3 (Mixture of Diastereomers) 是 trans-Hydroxy Loxoprofen 的 13C 和氘代化合物。trans-Hydroxy Loxoprofen 的 CAS 号为 371753-19-4。

Erlotinib-13C6 (CP-358774-13C6) is a 13C-labeled Erlotinib. Erlotinib is a directly acting EGFR tyrosine kinase inhibitor, with an IC50 of 2 nM for human EGFR[1]. Erlotinib reduces EGFR autophosphorylation in intact tumor cells with an IC50 of 20 nM. Erlotinib is used for the treatment of non-small cell lung cancer[1].Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process[2]. [1]. Moyer JD, et al. Induction of apoptosis and cell cycle arrest by CP-358,774, an inhibitor of epidermal growth factor receptor tyrosine kinase. Cancer Res. 1997, 57(21), 4838-4848.[2]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216.

Formoterol-13C-d3 Hemifumarate 是 Formoterol Hemifumarate 的 13C 和氘代化合物。Formoterol Hemifumarate 的 CAS 号为 43229-80-7。Formoterol Hemifumarate 是一种长效的 β2-肾上腺素受体激动剂。

Ethyl Acetate-13C2 是 Ethyl Acetate 的 13C 的标记化合物。Ethyl Acetate 的 CAS 号为 141-78-6。

L-Lactic acid-13C3 is a stable isotope labeled L-Lactic acid analog. L-Lactic acid-13C3 can be used for lactate metabolism research.

Cyanuric acid-13C3 是 13C 标记的 Cyanuric acid。

4-Trifluoromethylsalicylic acid-13C6 是 13C 标记的 4-Trifluoromethylsalicylic acid，主要用于药物开发过程中的定量示踪剂。4-Trifluoromethylsalicylic acid 也是一种血小板聚集抑制剂。

Sodium Acetate-1-13C 是 Sodium Acetate 的 13C 的标记化合物。Sodium Acetate 的 CAS 号为 127-09-3。Sodium acetate 是常用的实验室试剂。

Aflatoxin G2-13C17is intended for use as an internal standard for the quantification of aflatoxin G2by GC- or LC-MS. Aflatoxin G2is a mycotoxin that has been found inAspergillus.1It is lethal to ducklings (LD50= 2.83 mg kg) but is non-toxic to rats when administered at a dose of 200 mg kg.2 1.Bennett, J.W., and Klich, M.MycotoxinsClin. Microbiol. Rev.16(3)497-516(2003) 2.Wogan, G.N., Edwards, G.S., and Newberne, P.M.Structure-activity relationships in toxicity and carcinogenicity of aflatoxins and analogsCancer Res.31(12)1936-1942(1971)

Lercanidipine-13C-d3 HCl 是 Lercanidipine HCl 的 13C 和氘代化合物。Lercanidipine HCl 的 CAS 号为 132866-11-6。Lercanidipine hydrochloride 是亲脂性二氢吡啶-钙通道阻滞剂，具有持久的降压作用和保护肾脏作用。

Ondansetron-13C-d3 是 Ondansetron 的 13C 和氘代化合物。Ondansetron 的 CAS 号为 99614-02-5。Ondansetron 是一种血清素 5-HT3 受体拮抗剂，主要用作止吐剂。

Cefazolin-13C2,15N is intended for use as an internal standard for the quantification of cefazolin by GC- or LC-MS. Cefazolin is a broad-spectrum cephalosporin antibiotic that is active in vitro against various Gram-positive and Gram-negative bacteria (MICs = 0.2-12.5 μg ml). It also inhibits the growth of clinical isolates of S. aureus, E. coli, P. mirabilis, and K. pneumoniae (MICs = 0.1-25 μg ml). In vivo, cefazolin protects against S. aureus, E. coli, and P. mirabilis infection in mice (ED50s = <0.09-1.78, 0.44-3.63, and 2.31-5.2 mg animal, respectively). Formulations containing cefazolin have been used to treat a variety of bacterial infections.

1,2-Dioleoyl-rac-glycerol-13C3 is intended for use as an internal standard for the quantification of 1,2-dioleoyl-rac-glycerol by GC- or LC-MS. 1,2-dioleoyl-rac-glycerol is a diacylglycerol that contains oleic acid at the sn-1 and sn-2 positions. It effectively binds the C1 domain to activate conventional protein kinase C forms and serves as a substrate for diacylglycerol kinases and multisubstrate lipid kinase.1,2,3 |1. Yamaguchi, Y., Shirai, Y., Matsubara, T., et al. Phosphorylation and up-regulation of diacylglycerol kinase γ via its interaction with protein kinase Cγ. J. Biol. Chem. 281(42), 31627-31637 (2006).|2. Zhou, Q.Z., Raynor, R.L., Wood, M.G., Jr., et al. Structure-activity relationship of synthetic branched-chain distearoylglycerol (distearin) as protein kinase C activators. Biochemistry 27(19), 7361-7365 (1988).|3. Epand, R.M., Shulga, Y.V., Timmons, H.C., et al. Substrate chirality and specificity of diacylglycerol kinases and the multisubstrate lipid kinase. Biochemistry 46(49), 14225-14231 (2007).

Nitisinone-13C6is intended for use as an internal standard for the quantification of nitisinone by GC- or LC-MS. Nitisinone is an inhibitor of 4-hydroxyphenylpyruvate dioxygenase (HPPD), which converts 4-hydroxyphenylpyruvate (HPPA) to homogentisate in the tyrosine catabolic pathway.1Nitisinone increases urinary levels of HPPA and 4-hydroxyphenyllactate (HPLA) in rats when administered at a dose of 10 mg kg. Nitisinone (3 mg kg) prevents the neonatal lethality of fumarylacetoacetate hydrolase (FAH) deficiency in mice when administered to pregnant dams.2It exhibits hepatoprotective effects inFAH- -mice, such as prevention of increases in plasma levels of aspartate serine aminotransferase (AST) and conjugated bilirubin, when administration is continued following birth at a dose of 1 mg kg. Nitisinone (100 μg) decreases urinary excretion of homogentisate and increases urinary excretion of HPPA, HPLA, and 4-hydroxyphenylacetate in a mouse model of alkaptonuria induced by ethylnitrosourea.3Formulations containing nitisinone have been used in the treatment of hereditary tyrosinemia type 1 (HT-1). 1.Ellis, M.K., Whitfield, A.C., Gowans, L.A., et al.Inhibition of 4-hydroxyphenylpyruvate dioxygenase by 2-(2-nitro-4-trifluoromethylbenzoyl)-cyclohexane-1,3-dione and 2-(2-chloro-4-methanesulfonylbenzoyl)-cyclohexane-1,3-dioneToxicol. Appl. Pharmacol.133(1)12-19(1995) 2.Grompe, M., Lindstedt, S., al-Dhalimy, M., et al.Pharmacological correction of neonatal lethal hepatic dysfunction in a murine model of hereditary tyrosinaemia type INat. Genet.10(4)453-460(1995) 3.Suzuki, Y., Oda, K., Yoshikawa, Y., et al.A novel therapeutic trial of homogentisic aciduria in a murine model of alkaptonuriaJ. Hum. Genet.44(2)79-84(1999)

2-Nitrobenzaldehyde semicarbazone (13C, 15N2) is utilized in the LC-MS MS method for semicarbazide analysis.

Palmitic acid-13C is intended for use as an internal standard for the quantification of palmitic acid by GC- or LC-MS. Palmitic acid is a 16-carbon saturated fatty acid. It comprises approximately 25% of human total plasma lipids.1 It increases protein levels of COX-2 in RAW 264.7 cells when used at a concentration of 75 μM.2 Palmitic acid is involved in the acylation of proteins to anchor membrane-bound proteins to the lipid bilayer.2,3,4,5,6 |1. Santos, M.J., López-Jurado, M., Llopis, J., et al. Influence of dietary supplementation with fish oil on plasma fatty acid composition in coronary heart disease patients. Ann. Nutr. Metab. 39(1), 52-62 (1995).|2. Lee, J.Y., Sohn, K.H., Rhee, S.H., et al. Saturated fatty acids, but not unsaturated fatty acids, induced the expression of cyclooxygenase-2 mediated through toll-like receptor 4. J. Biol. Chem. 276(20), 16683-16689 (2001).|3. Dietzen, D.J., Hastings, W.R., and Lublin, D.M. Caveolin is palmitoylated on multiple cysteine residues. Palmitoylation is not necessary for localization of caveolin to caveolae. J. Biol. Chem. 270(12), 6838-6842 (1995).|4. Robinson, L.J., and Michel, T. Mutagenesis of palmitoylation sites in endothelial nitric oxide synthase identifies a novel motif for dual acylation and subcellular targeting. Proc. Nat. Acad. Sci. USA 92(25), 11776-11780 (1995).|5. Topinka, J.R., and Bredt, D.S. N-terminal palmitoylation of PSD-95 regulates association with cell membranes and interaction with K+ channel Kv1.4. Neuron 20(1), 125-134 (1998).|6. Miggin, S.M., Lawler, O.A., and Kinsella, B.T. Palmitoylation of the human prostacyclin receptor. Functional implications of palmitoylation and isoprenylation. J. Biol. Chem. 278(9), 6947-6958 (2003).

Tacrolimus-13C-d2 是 Tacrolimus 的 13C 和氘代化合物。

L-Thyroxine-13C6 是 L-Thyroxine 的 13C 的标记化合物。L-Thyroxine 的 CAS 号为 51-48-9。L-Thyroxine (T4)是一种合成的甲状腺激素，用于甲状腺功能减退症的研究。在DIO 酶作用下， L-Thyroxine (T4)转化成具有生物特性的三碘甲状腺氨酸 (T3)。

Binimetinib-13C-d3 是 Binimetinib 的 13C 和氘代化合物。Binimetinib 的 CAS 号为 606143-89-9。Binimetinib 是一种可口服的选择性MEK1 2抑制剂，抑制MEK的IC50为 12 nM。

Prucalopride-13C-d3 是 Prucalopride 的 13C 和氘代化合物。Prucalopride 的 CAS 号为 179474-81-8。Prucalopride 是一种选择性、高亲和力的 5-HT4A 4B 受体激动剂，Ki为2.5和 8 nM。它对 5-HT4A 4B 受体的选择性是其他 5-HT 受体亚型的 290 倍以上。

Berberine hydrochloride-13C-d3 是 Berberine hydrochloride 的 13C 和氘代化合物。

L-Proline-15N是一种同位素标记的氨基酸，适用于代谢研究，帮助探索氨基酸代谢的路径和机制。

16α-Hydroxydehydroepiandrosterone-d5 (16α-Hydroxy-DHEA-d5) 是 16α-Hydroxydehydroepiandrosterone 的氘代形式。