[3-(3'-chloro-3-fluorobiphenyl-4-yl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol | 1035926-70-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [3-(3'-chloro-3-fluorobiphenyl-4-yl)-8-methyl-5,6,8,9-tetrahydro[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol
• 英文别名: [3-[4-(3-chlorophenyl)-2-fluorophenyl]-8-methyl-6,9-dihydro-5H-[1,2,4]triazolo[4,3-d][1,4]thiazepin-8-yl]methanol
• CAS: 1035926-70-5
• 化学式: C₂₀H₁₉ClFN₃OS
• 分子量: 403.908
• InChiKey: OKKZPAJRUFQEPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  76.2
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• THIAZEPINE DERIVATIVE
  申请人：Hasegawa Toru

  公开号：US20100004221A1

  公开（公告）日：2010-01-07

  Thiazepine derivative or a pharmacologically acceptable salt thereof having an effect of inhibiting 11β-hydroxysteroid dehydrogenase type 1 and having a formula (1): wherein in one embodiment, R 1 represents a hydrogen atom, a C 1 -C 6 alkyl group; R 2 represents a C 1 -C 6 alkyl group, a C 1 -C 6 halogenated alkyl group, a C 1 -C 6 hydroxyalkyl group; R 1 represents a hydrogen atom or a C 1 -C 6 alkyl group; R 4 represents a C 6 -C 10 aryl group that may be substituted with 1 to 5 group(s) independently selected from Substituent Group a or a heterocyclic group that may be substituted with 1 to 3 group(s) independently selected from Substituent Group a; Substituent Group a consists of a halogen atom, a C 1 -C 6 alkyl group, a C 6 -C 10 aryl group that may be substituted with 1 to 5 group(s) independently selected from Substituent Group b; Substituent Group b consists of a halogen atom, a C 1 -C 6 alkyl group, and a C 1 -C 6 halogenated alkyl group.

  具有抑制11β-羟基类固醇脱氢酶1型作用的噻唑啉衍生物或其药理学上可接受的盐，其化学式为（1）：其中，在一种实施例中，R1代表氢原子，C1-C6烷基；R2代表C1-C6烷基，C1-C6卤代烷基，C1-C6羟基烷基；R3代表氢原子或C1-C6烷基；R4代表C6-C10芳基，该芳基可以用1-5个独立选自取代基团a的基团进行取代，或者是一个杂环基团，该杂环基团可以用1-3个独立选自取代基团a的基团进行取代；取代基团a由卤素原子，C1-C6烷基，C6-C10芳基组成，该芳基可以用1-5个独立选自取代基团b的基团进行取代；取代基团b由卤素原子，C1-C6烷基和C1-C6卤代烷基组成。