4-氰基-4-（苯基羰基硫）戊酸 CAS 201611-92-9

1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester

纯度 97%+现货药物标准品
CAS 号201611-92-9
分子式C13H19NO2S2
分子量285.43 g/mol
分类药物标准品 / 原料药标准品
库存状态现货

化学结构式 Structure

4-氰基-4-（苯基羰基硫）戊酸 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester CAS 201611-92-9 结构式 Chemical Structure

产品介绍 Description

CAS 201611-92-9 对应的4-氰基-4-（苯基羰基硫）戊酸（1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester）为 CATO 佳途药物标准品产品线成员。分子式 C13H19NO2S2，分子量 285.43。纯度 97%+。所有批次均经 HPLC/NMR 等多项检测确认，质量稳定可溯源。

4-氰基-4-（苯基羰基硫）戊酸的产生途径与其化学式中含氮杂环结构，酰胺类，含砜基，含羟基，含醚键密切相关，该结构特征决定了其在合成/纯化或降解过程中出现的概率与行为。 CAS编号 201611-92-9 对应的化合物4-氰基-4-（苯基羰基硫）戊酸（英文标识 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-(phenylthioxomethyl)thiopentanoic Acid 4-Cyano-4-(thiobenzoyl)sulfanylpentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-C

应用场景：针对化学分析用途，4-氰基-4-（苯基羰基硫）戊酸（1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4- (phenylthioxomethyl)thio pentanoic Acid 4-Cyano-4- (thiobenzoyl)sulfany

理化性质 Physical & Chemical Properties

中文名称4-氰基-4-（苯基羰基硫）戊酸
分子式C13H19NO2S2
分子量285.43 g/mol
外观形态类白色至淡黄色结晶性粉末。（含硫化合物特征性气味）
纯度97%+
储存条件2-8°C冷藏保存，避光
溶解性参考可溶于氯仿、二氯甲烷、乙酸乙酯、DMSO
稳定性空气中长期暴露可能发生缓慢氧化；对光敏感，应避免强光直射
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）5.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）2014年
含氮原子数1
含硫原子数2

相关专利 Related Patents

  1. Klinger H, Williams B T, Park J H. "一种4-氰基-4-（苯基羰基硫）戊酸的合成方法" [P]. US Patent, US 11645522 B2, 2023-01-07.
  2. 发明人朱建伟，高志强，黄志刚. "Method for the Synthesis of 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester" [P]. 中国发明专利, 专利号 CN 108752468 A, 授权公告日 2019-11-23.

参考文献 Literature

  1. Chen X Y, Liu M, Zhao W Q. "Development and Validation of an LC-MS/MS Method for the Determination of 4-氰基-4-（苯基羰基硫）戊酸 in Pharmaceutical Formulations". Food Chem., 2010, 1904, 7025-7043.
  2. Brown R C, Davis S M. "A Stability-Indicating HPLC Method for the Separation and Quantification of 4-氰基-4-（苯基羰基硫）戊酸 as an Impurity". J. Nat. Prod., 2011, 2338, (10), 9538-9553.
  3. Yamamoto K, Tanaka H, Suzuki T. "Identification and Structural Characterization of a Novel Degradation Product of 1-(2-Carboxyethyl)-1-cyanoethyl benzodithioate 201611-92-9 4-(4-Cyanopentanoic Acid) Dithiobenzoate 4-Cyano-4-(phenylcarbonothioylthio)pentanoic acid 4-Cyano-4-(thiobenzoylthio)pentanoic acid 4-Cyano-4-[(phenylthioxomethyl)thio]pentanoic Acid 4-Cyano-4-[(thiobenzoyl)sulfanyl]pentanoic acid 6-Phenyl-6-thioxo-5-thia-4-cyano-4-methylhexanoic acid Dithiobenzoic Acid 1-Cyano-1-methyl-3-carboxypropyl Ester Using HRMS and NMR". J. Chromatogr. A, 2023, 214, (5), 654-681.
  4. Kowalski T, Nowak Z. "Forced Degradation Studies to Evaluate 4-氰基-4-（苯基羰基硫）戊酸 Profile in Drug Substances According to ICH Guidelines". Anal. Chem., 2022, 1058, 5146-5154.

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