(RS)-N-(3-cyano-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)-3-(2-chloro-3-methoxy-phenyl)-butyramide | 916239-67-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: (RS)-N-(3-cyano-4,5,6,7-tetrahydro-thieno[2,3-c]pyridin-2-yl)-3-(2-chloro-3-methoxy-phenyl)-butyramide
• 英文别名: 3-(2-chloro-3-methoxyphenyl)-N-(3-cyano-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)butanamide
• CAS: 916239-67-3
• 化学式: C₁₉H₂₀ClN₃O₂S
• 分子量: 389.906
• InChiKey: NVRXBZIQQHUUOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• Novel Tetrahydropyridothiophenes
  申请人：Pekari Klaus

  公开号：US20080260749A1

  公开（公告）日：2008-10-23

  Compounds of a certain formula (I) in which Ra and Rb have the meanings indicated in the description, are novel effective compounds with anti-proliferative and apoptosis inducing activity.

  具有某种化学式（I）的化合物，在其中Ra和Rb具有描述中指示的含义，是具有抗增殖和诱导凋亡活性的新型有效化合物。
• Tetrahydropyridothiophenes As Antripoliferative Agents For The Treatment Of Cancer
  申请人：Pekari Klaus

  公开号：US20090252706A1

  公开（公告）日：2009-10-08

  The invention relates to compounds of formula (I) wherein Ra is —C(O)ORI, in which R1 is 1-7C-alkyl. 3-7C-cycloakyl, 1-7C-alkyl substituted by Raa, or 2-7C-alkyl substituted by Rab and Rac on different carbon atoms, Rb is -T-Q, in which T is 1-6C-alkylene or 3-7C-cycloalkylene, and Q is substituted by Rba and Rbb and Rbc, and is phenyl, which are useful for the therapy of hyperproliferative diseases, in particular human cancer.

  本发明涉及公式（I）的化合物，其中Ra为—C（O）ORI，其中R1为1-7C-烷基，3-7C-环烷基，1-7C-烷基，被Raa取代的2-7C-烷基或在不同碳原子上被Rab和Rac取代的2-7C-烷基，Rb为-T-Q，其中T为1-6C-烷基或3-7C-环烷基，Q被Rba，Rbb和Rbc取代，并且是苯基，这些化合物对于治疗增生性疾病，特别是人类癌症具有用处。
• Tetrahydropyridothiophenes as Antiproliferative Agents for the Treatment of Cancer
  申请人：Pekari Klaus

  公开号：US20090098133A1

  公开（公告）日：2009-04-16

  Compounds of a certain formula (I), in which Ra and Rb have the meanings indicated in the description, are novel effective compounds with anti-proliferative and apoptosis inducing activity.

  某一公式（I）的化合物，其中Ra和Rb具有描述中指示的含义，是一种具有抗增殖和诱导凋亡活性的新型有效化合物。
• TETRAHYDROPYRIDOTHIOPHENES AS ANTRIPOLIFERATIVE AGENTS FOR THE TREATMENT OF CANCER
  申请人：Nycomed GmbH

  公开号：EP1851230A1

  公开（公告）日：2007-11-07
• TETRAHYDROPYRIDOTHIOPHENES FOR USE IN THE TREATMENT OF CANCER
  申请人：Nycomed GmbH

  公开号：EP1893618A2

  公开（公告）日：2008-03-05