α-[4,5,6,7-tetrahydro-thieno[3,2-c]-5-pyridyl]-phenylacetic acid | 90055-56-4

• 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: α-[4,5,6,7-tetrahydro-thieno[3,2-c]-5-pyridyl]-phenylacetic acid
• 英文别名: 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-phenylacetic acid
• CAS: 90055-56-4
• 化学式: C₁₅H₁₅NO₂S
• mdl: MFCD12440947
• 分子量: 273.356
• InChiKey: QMNBWEUGKUIAOD-UHFFFAOYSA-N

物化性质

• 沸点：
  424.1±45.0 °C(Predicted)
• 密度：
  1.320±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.266
• 拓扑面积：
  68.8
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Ginkgolide B Derivative and Preparation Method And Use Thereof
  申请人：Chengdu Baiyu Ginkgolide Pharmaceuticals Co., Ltd.

  公开号：US20190077811A1

  公开（公告）日：2019-03-14

  Disclosed are a compound as shown in formula I or formula II or a pharmaceutically acceptable salt thereof, wherein R 1 is selected from pyrazinyl or substituted pyrazinyl; and R 2 is selected from pyrazinyl or substituted pyrazinyl, phenyl or substituted phenyl, alkyl or substituted alkyl.

  揭示了一种如公式I或公式II所示的化合物，或其药用可接受的盐，其中R1从吡啶基或取代的吡啶基中选择；而R2从吡啶基或取代的吡啶基，苯基或取代的苯基，烷基或取代的烷基中选择。
• Preparation of Clopidogrel and Its Analogues Methyl Tetrahydrothienopyridine Acetate Compuunds
  申请人：Wang Lixin

  公开号：US20080249311A1

  公开（公告）日：2008-10-09

  The present invention disclosed a preparation method of Clopidogrel (X=2-Cl) and its analogues of methyl tetrahydrothienopyridine acetate (I) by using halogen phenyl acetonitrile (VIII) as starting material and tetrahydrothienopyridine acetonitrile (IV), tetrahydrothienopyridine acetate (V) as key intermediates, and further using kinetic resolution to prepare the optical active Clopidogrel and compounds of methyl tetrahydrothenopridine acetate of formula (XII). The Clopidogrel of present invention is a novel high effective and safety drug for inhibition of platelet aggregation. This invention applied systematic technique of racemization of unwanted optical active enantiomer, recover recycle and reuse of resolution agent etc., with greater economic advantages and suitable for commercial scale industrial production. Wherein: X represents atoms of hydrogen, fluorine, chlorine, bromine or iodine, M represents an alkali metal ion.

  本发明揭示了一种使用卤代苯基乙腈（VIII）作为起始材料和四氢噻吡啶乙腈（IV）、四氢噻吡啶醋酸酯（V）作为关键中间体，进一步利用动力学分辨制备光学活性的氯吡格雷和化合物的制备方法。本发明的氯吡格雷是一种新型高效且安全的抑制血小板聚集的药物。该发明应用了系统技术对不需要的光学活性对映异构体进行消旋，回收和再利用分辨剂等，具有更大的经济优势，适用于商业规模的工业生产。其中：X代表氢、氟、氯、溴或碘原子，M代表碱金属离子。
• Process for preparing enantiomerically pure alpha phenyl-alpha (6,7-dihydro-4h-thieno[3,2-c]pyridin-5-yl)-acetic acid derivatives
  申请人：Arul Ramakrishna

  公开号：US20050049415A1

  公开（公告）日：2005-03-03

  A process for preparing a substantially enantiomerically pure compound of formula (IV), or a pharmaceutically acceptable salt thereof wherein: R is hydrogen or a Cl alkyl group and X, Y and Z are any atom or group, comprising a step of isolating a substantially enantiomerically pure compound of formula (V) wherein: R 3 is CN or C(O)NR 1 R 2 and R 1 and R 2 are each independently hydrogen or a C 1 -C 4 alkyl group, or, together with the nitrogen in the C(O)NR 1 R 2 group, form a ring that includes 2-6 carbon atoms, from a racemate of formula (V) and converting the substantially enantiomerically pure compound of formula (V) into a substantially enantiomerically pure compound of formula (IV).

  一种制备公式（IV）的基本对映体纯化化合物或其药学上可接受的盐的方法，其中：R为氢或Cl烷基，X、Y和Z为任意原子或基团，包括从公式（V）的基本对映体纯化化合物中分离出一步，其中：R3是CN或C（O）NR1R2，R1和R2分别独立地是氢或C1-C4烷基，或者与C（O）NR1R2中的氮一起形成包括2-6个碳原子的环，从公式（V）的外消旋体转化为公式（IV）的基本对映体纯化化合物。
• PREPARATION OF CLOPIDOGREL AND ITS ANALOGUES METHYL TETRAHYDROTHIENOPYRIDINE ACETATE COMPOUNDS
  申请人：Zhejiang Huahai Pharmaceutical Co., Ltd.

  公开号：EP1942110A1

  公开（公告）日：2008-07-09

  The present invention disclosed a preparation method of Clopidogrel (X=2-Cl) and its analogues of methyl tetrahydrothienopyridine acetate (I) by using halogen phenyl acetonitrile (VIII) as starting material and tetrahydrothienopyridine acetonitrile (IV), tetrahydrothienopyridine acetate (V) as key intermediates, and further using kinetic resolution to prepare the optical active Clopidogrel and compounds of methyl tetrahydrothenopridine acetate of formula (XII). The Clopidogrel of present invention is a novel high effective and safety drug for inhibition of platelet aggregation. This invention applied systematic technique of racemization of unwanted optical active enantiomer, recover recycle and reuse of resolution agent etc., with greater economic advantages and suitable for commercial scale industrial production. Wherein: X represents atoms of hydrogen, fluorine, chlorine, bromine or iodine, M represents an alkali metal ion.

  本发明公开了一种以卤代苯乙腈(VIII)为起始原料，以四氢噻吩吡啶乙腈(IV)、四氢噻吩吡啶乙酸酯（V）为关键中间体，进一步利用动力学解析法制备出光学活性氯吡格雷和式(XII)的四氢塞那吡啶乙酸甲酯化合物。本发明的氯吡格雷是一种新型高效安全的抑制血小板聚集的药物。本发明采用系统的技术，对不需要的光学活性对映体进行消旋化，回收循环再利用解析剂等，具有较大的经济优势，适合商业化规模的工业生产。 其中X 代表氢原子、氟原子、氯原子、溴原子或碘原子，M 代表碱金属离子。
• Ginkgolide B derivative and preparation method and use thereof
  申请人：Chengdu Baiyu Ginkgolide Pharmaceuticals Co., Ltd.

  公开号：US10875874B2

  公开（公告）日：2020-12-29

  Disclosed are a compound as shown in formula I or formula II or a pharmaceutically acceptable salt thereof, wherein R1 is selected from pyrazinyl or substituted pyrazinyl; and R2 is selected from pyrazinyl or substituted pyrazinyl, phenyl or substituted phenyl, alkyl or substituted alkyl.

  公开了如式 I 或式 II 所示的化合物或其药学上可接受的盐，其中 R1 选自吡嗪基或取代的吡嗪基；R2 选自吡嗪基或取代的吡嗪基、苯基或取代的苯基、烷基或取代的烷基。