(RS)-2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydro-thieno[3,2-c]pyridine-2 (4H)-one)-5-acetate | 1312441-08-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (RS)-2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydro-thieno[3,2-c]pyridine-2 (4H)-one)-5-acetate
• 英文别名: (±)-2-oxo-clopidogrel；rac-2-oxoclopidogrel；Methyl 2-(2-chlorophenyl)-2-(2-oxo-3,4,6,7-tetrahydrothieno[3,2-c]pyridin-5-yl)acetate
• CAS: 1312441-08-9
• 化学式: C₁₆H₁₆ClNO₃S
• 分子量: 337.827
• InChiKey: AZRUDPJZBRJPHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  71.9
• 氢给体数：
  0
• 氢受体数：
  5

ADMET

代谢

2-氧代-氯吡格雷是已知的人体代谢物，属于ac1ldic9。

2-oxo-clopidogrel is a known human metabolite of ac1ldic9.

来源:NORMAN Suspect List Exchange

反应信息

• 作为反应物：
  描述：

  (RS)-2-(2-chlorophenyl)-2-(4,5,6,7-tetrahydro-thieno[3,2-c]pyridine-2 (4H)-one)-5-acetate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 异丙醇 、 甲苯 、 mineral oil 为溶剂， 反应 2.58h， 生成 benzenesulfonic acid;[5-[(1S)-1-(2-chlorophenyl)-2-methoxy-2-oxoethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] 2-acetyloxybenzoate
  参考文献：
  名称：

  NOVEL ANTI-PLATELET COMPOUND ADDITION SALT

  摘要：

  本发明涉及使用化合物I的卤化酸盐和磺酸盐以及化合物I的盐在制备用于预防或治疗由血栓形成或栓塞引起的疾病的药物中的用途。本发明提供了化合物I的酸加成盐，特别是具有高抑制血小板聚集作用的卤化酸和磺酸加成盐，以及其制备方法，包括该化合物的药物、预防或治疗由血栓形成或栓塞引起的疾病的用途和/或方法。

  公开号：

  US20140031386A1

文献信息

• BIOCATALYST AND METHODS FOR SYNTHESIZING MIXED DISULFIDE CONJUGATES OF THIENOPYRIDINE COMPOUNDS
  申请人：The Regents of the University of Michigan

  公开号：US20200370081A1

  公开（公告）日：2020-11-26

  The present invention relates to methods for synthesizing mixed disulfide conjugates of thienopyridine compounds with a genetically engineered variant of cytochrome P450 BM3 or CYP102A1 as a catalyst, and belongs to the field of chemical synthesis.

  本发明涉及使用基因工程的细胞色素P450 BM3或CYP102A1变异体作为催化剂合成噻吩吡啶化合物的混合二硫键共轭物的方法，属于化学合成领域。
• Optically active 2-hydroxy tetrahydrothienopyridine derivatives, preparation method and use in manufacture of medicament thereof
  申请人：Jiangsu Vcare PharmaTech Co., Ltd.

  公开号：US10000506B2

  公开（公告）日：2018-06-19

  Optically active 2-hydroxytetrahydrothienopyridine derivatives represented by Formula I and pharmaceutically acceptable salts, preparation method and use in the manufacture of a medicament thereof are disclosed. The pharmacodynamic experiment results show that the present compounds of Formula I are useful for inhibiting platelet aggregation. The pharmacokinetic experiment results show that the present compound of Formula I can be converted in vivo into pharmacologically active metabolites and are therefore useful for inhibiting platelet aggregation. Therefore, the present compounds are useful for the manufacture of a medicament for preventing or treating thrombosis and embolism related diseases.

  本发明公开了由式 I 代表的具有光学活性的 2-羟基四氢噻吩吡啶衍生物及其药学上可接受的盐、制备方法和在制造药物中的用途。药效学实验结果表明，本发明的式 I 化合物可用于抑制血小板聚集。药代动力学实验结果表明，本发明的式 I 化合物可在体内转化为具有药理活性的代谢物，因此可用于抑制血小板聚集。因此，本化合物可用于制造预防或治疗血栓和栓塞相关疾病的药物。
• OPTICALLY ACTIVE 2-HYDROXY TETRAHYDROTHIENOPYRIDINE DERIVATIVES, PREPARATION METHOD AND USE IN MANUFACTURE OF MEDICAMENT THEREOF
  申请人：Jiangsu Vcare Pharmatech Co., Ltd

  公开号：EP2532668B1

  公开（公告）日：2017-05-24
• [EN] STABLE COMPOSITIONS OF (7AS,2'S)-2-OXOCLOPIDOGREL AND ITS PHARMACEUTICAL SALTS<br/>[FR] COMPOSITIONS STABLES DE (7AS, 2'S)-2-OXOCLOPIDOGREL ET SES SELS PHARMACEUTIQUES
  申请人：IPCA LABORATORIES LTD

  公开号：WO2021070200A2

  公开（公告）日：2021-04-15

  The present invention discloses stable oral pharmaceutical composition containing therapeutically effective amount of (7aS,2'S)-2-oxoclopidogrel and/or its salts or derivatives, in combination with pharmaceutically acceptable adjuvants or carriers. More particularly, the present invention discloses highly pure (7aS,2'S)-2-oxoclopidogrel and/or its salts, processes for manufacturing pure and stable (7aS,2'S)-2-oxoclopidogrel and stable compositions having a shelf-life of at least one year or more.
• NOVEL ANTI-PLATELET COMPOUND ADDITION SALT
  申请人：Yan Xiaojing

  公开号：US20140031386A1

  公开（公告）日：2014-01-30

  The present invention relates to a use of haloid acid salt and sulfonate of a compound of formula I and a salt of the compound of formula I in preparation of medicament for preventing or treating diseases caused by thrombosis or embolism. The present invention provides acid addition salts, especially haloid acid and sulfonic acid addition salts of a compound of formula I having high inhibition effect on platelet aggregation, and preparation method of the same, a medicament comprising the same, and a use and/or method for preventing or treating diseases caused by thrombosis or embolism.

  本发明涉及使用化合物I的卤化酸盐和磺酸盐以及化合物I的盐在制备用于预防或治疗由血栓形成或栓塞引起的疾病的药物中的用途。本发明提供了化合物I的酸加成盐，特别是具有高抑制血小板聚集作用的卤化酸和磺酸加成盐，以及其制备方法，包括该化合物的药物、预防或治疗由血栓形成或栓塞引起的疾病的用途和/或方法。