tert-butyl 3-[(2-chloro-4-cyanophenyl)amino]azepane-1-carboxylate | 609789-26-6

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: tert-butyl 3-[(2-chloro-4-cyanophenyl)amino]azepane-1-carboxylate
• 英文别名: Tert-butyl 3-(2-chloro-4-cyanoanilino)azepane-1-carboxylate
• CAS: 609789-26-6
• 化学式: C₁₈H₂₄ClN₃O₂
• 分子量: 349.86
• InChiKey: UYFQGIKRHSDEAH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• Benzamide derivatives
  申请人：Imazaki Naonori

  公开号：US20050182040A1

  公开（公告）日：2005-08-18

  A compound represented by formula (1): wherein X is a single bond or a substituted or unsubstituted lower alkylene group; Z is a saturated or unsaturated monocyclic hydrocarbon ring group or the like; and each of R 1 , R 2 , R 3 and R 4 , which may be the same or different, is a hydrogen atom, a halogen atom, a nitro group, a cyano group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug has inhibitory effect on Rho kinase and hence is useful for treating diseases which are such that morbidity due to them is expected to be improved by inhibition of Rho kinase and secondary effects such as inhibition of the Na + /H + exchange transport system caused by the Rho kinase inhibition, for example, hypertension.

  一种由公式（1）表示的化合物：其中X是单键或取代或未取代的较低烷基链；Z是饱和或不饱和的单环烃基环或类似物；而每个R1、R2、R3和R4，可以相同也可以不同，是氢原子、卤素原子、硝基、氰基、羧基、取代或未取代的烷基或类似物，该化合物的前药，或该化合物或前药的药学上可接受的盐具有抑制Rho激酶的作用，因此可用于治疗因抑制Rho激酶而预计疾病的发病率得到改善的疾病，例如高血压，并且由于Rho激酶抑制所引起的Na+/H+交换转运系统的抑制等二次效应。
• BENZAMIDE DERIVATIVES
  申请人：Sumitomo Pharmaceuticals Company, Limited

  公开号：EP1500643A1

  公开（公告）日：2005-01-26

  A compound represented by formula (1): wherein X is a single bond or a substituted or unsubstituted lower alkylene group; Z is a saturated or unsaturated monocyclic hydrocarbon ring group or the like; and each of R1, R2, R3 and R4, which may be the same or different, is a hydrogen atom, a halogen atom, a nitro group, a cyano group, a carboxyl group, a substituted or unsubstituted alkyl group, or the like, a prodrug of said compound, or a pharmaceutically acceptable salt of said compound or prodrug has inhibitory effect on Rho kinase and hence is useful for treating diseases which are such that morbidity due to them is expected to be improved by inhibition of Rho kinase and secondary effects such as inhibition of the Na+/H+ exchange transport system caused by the Rho kinase inhibition, for example, hypertension.

  由式（1）代表的化合物： 其中 X 是单键或取代或未取代的低级亚烷基； Z 是饱和或不饱和的单环烃环基或类似物；以及 R1、R2、R3 和 R4（可以相同或不同）中的每一个是氢原子、卤素原子、硝基、氰基、羧基、取代或未取代的烷基或类似物，所述化合物的原药、或所述化合物或原药的药学上可接受的盐对 Rho 激酶有抑制作用，因此可用于治疗因抑制 Rho 激酶而发病率有望得到改善的疾病，以及因抑制 Rho 激酶而导致 Na+/H+ 交换转运系统受到抑制等副作用的疾病，例如高血压。