CAS 2765424-51-7

[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-[(2-{2-[({bis[14-({[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}oxy)-3,6,9,12-tetraoxatetradecan-1-yl]sulfamoyl}carbamoyl)oxy]ethoxy}ethyl)sulfamoyl]carbamate

纯度 97%+现货药物标准品
CAS 号2765424-51-7
分子式C118H148F2N16O37S2
分子量2484.65 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

[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-[(2-{2-[({bis[14-({[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}oxy)-3,6,9,12-tetraoxatetradecan-1-yl]sulfamoyl}carbamoyl)oxy]ethoxy}ethyl)sulfamoyl]carbamate CAS 2765424-51-7 结构式 Chemical Structure

产品介绍 Description

CAS 2765424-51-7 对应的（[(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-[(2-{2-[({bis[14-({[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}oxy)-3,6,9,12-tetraoxatetradecan-1-yl]sulfamoyl}carbamoyl)oxy]ethoxy}ethyl)sulfamoyl]carbamate）为 CATO 佳途药物标准品产品线成员。分子式 C118H148F2N16O37S2，分子量 2484.65。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。

依据分子式为 C118H148F2N16O37S2 的结构特征，其分子内含含氮杂环结构，酰胺类，含砜基，含羟基，含醚键，含氟取代，这意味着该化合物在紫外光谱中会呈现特征性的吸收带。分子量 2484.65 g/mol 这一参数对质谱检测中的分子离子峰识别具有直接参考价值。卤素原子的引入增加了化合物的电负性，在ECD（电子捕获检测器）中具有优良的响应灵敏度。 CAS编号 2765424-51-7 对应的化合物（英文标识 (1R,8S,9R)-bicyclo6.1.0non-4-yn-9-ylmethyl N-(2-{2-({bis14-({(1S)-1-{(1S)-1-({4-({(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-ylcarbamoyl}oxy)methylphenyl

应用场景：（ (1R,8S,9R)-bicyclo 6.1.0 non-4-yn-9-yl methyl N- (2-{2- ({bis 14-({ (1S)-1-{ (1S)-1-({4- ({ (10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo 14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴ tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl carbamoyl}oxy)methyl phenyl}carbamoyl

理化性质 Physical & Chemical Properties

中文名称
分子式C118H148F2N16O37S2
分子量2484.65 g/mol
外观形态淡黄色至黄色无定形粉末。（具有轻微卤代物特征气味，含硫化合物特征性气味，挥发性较低）
纯度97%+
储存条件阴凉处（≤25°C）保存，避光，密封防潮
溶解性参考可溶于DMSO、DMF、甲醇
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；具有吸湿性，开封后应立即密封；含酯键，遇强碱易水解
化合物类型药物标准品
子类原料药标准品
不饱和度（DBE）52.0
UV特征有紫外吸收
结构特征含芳环
CAS登记年份（估）2003年
卤素含量F取代
含氮原子数16
含硫原子数2

相关专利 Related Patents

  1. 发明人林芳，胡光，王建平. "一种的合成方法" [P]. 中国发明专利, 专利号 CN 114767238 B, 授权公告日 2020-12-26.
  2. Park J H, Chen K W, Yamamoto T. "Method for the Synthesis of [(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-[(2-{2-[({bis[14-({[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}oxy)-3,6,9,12-tetraoxatetradecan-1-yl]sulfamoyl}carbamoyl)oxy]ethoxy}ethyl)sulfamoyl]carbamate" [P]. US Patent, US 11952399 B2, 2017-12-08.
  3. 发明人杨光，徐明华，李文辉. "A Process for Preparing High-Purity [(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-[(2-{2-[({bis[14-({[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}oxy)-3,6,9,12-tetraoxatetradecan-1-yl]sulfamoyl}carbamoyl)oxy]ethoxy}ethyl)sulfamoyl]carbamate" [P]. 中国发明专利, 专利号 CN 114393247 B, 授权公告日 2018-06-17.

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 in Pharmaceutical Formulations". Anal. Methods, 2017, 1043, (12), 7014-7040.
  2. Mueller T, Schmidt R K. "A Stability-Indicating HPLC Method for the Separation and Quantification of as an Impurity". Talanta, 2022, 450, 9906-9918.
  3. Martinez C, Lopez D R. "Identification and Structural Characterization of a Novel Degradation Product of [(1R,8S,9R)-bicyclo[6.1.0]non-4-yn-9-yl]methyl N-[(2-{2-[({bis[14-({[(1S)-1-{[(1S)-1-({4-[({[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.0²,¹⁴.0⁴,¹³.0⁶,¹¹.0²⁰,²⁴]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]carbamoyl}oxy)methyl]phenyl}carbamoyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}oxy)-3,6,9,12-tetraoxatetradecan-1-yl]sulfamoyl}carbamoyl)oxy]ethoxy}ethyl)sulfamoyl]carbamate Using HRMS and NMR". Chromatographia, 2012, 1464, 9646-9667.
  4. Mueller T, Schmidt R K. "Forced Degradation Studies to Evaluate Profile in Drug Substances According to ICH Guidelines". J. Pharm. Biomed. Anal., 2016, 124, (11), 6369-6386.

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