(+/-)-5-cyano-1-(2,4-dimethoxybenzenesulfonyl)-3-(2-ethoxypyridin-3-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)-2,3-dihydro-1H-indol-2-one | 1056550-46-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (+/-)-5-cyano-1-(2,4-dimethoxybenzenesulfonyl)-3-(2-ethoxypyridin-3-yl)-3-(4-pyridin-4-ylpiperazin-1-yl)-2,3-dihydro-1H-indol-2-one
• 英文别名: 1-(2,4-Dimethoxyphenyl)sulfonyl-3-(2-ethoxypyridin-3-yl)-2-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)indole-5-carbonitrile
• CAS: 1056550-46-9
• 化学式: C₃₃H₃₂N₆O₆S
• 分子量: 640.72
• InChiKey: JBZOORZGPVOAMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  46
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  147
• 氢给体数：
  0
• 氢受体数：
  11

文献信息

• SUBSTITUTED OXINDOLE COMPOUNDS
  申请人：Geneste Herve'

  公开号：US20100286165A1

  公开（公告）日：2010-11-11

  The present invention relates to compounds of the general formula (I) in which A, B, R 1 , R 2 and Het have the meaning given in claim 1; Y is a bivalent group of the formula in which D is C 1 -C 3 -alkylene, where D may have a substituent R 5 ; R 3 is hydrogen, C 1 -C 8 -alkyl or together with R 4 is C 1 -C 3 -alkylene which may have a radical R 5a , or together with R 5 is C 1 -C 3 -alkylene, and R 4 is hydrogen, C 1 -C 8 -alkyl or together with R 3 is C 1 -C 3 -alkylene which may have a radical R 5a , or together with R 5 is C 1 -C 3 -alkylene, where R 5 together with R 5a , where present, are a bond or C 1 -C 3 -alkylene; and where one of the following conditions is satisfied: R 3 together with R 4 is C 1 -C 3 -alkylene which may have a radical R 5a ; or R 3 together with R 5 is C 1 -C 3 -alkylene; or R 4 together with R 5 is C 1 -C 3 -alkylene where the radical A is different from phenyl when the radical B is phenyl or naphthyl; and medicaments which comprise such compounds and the use thereof for the prophylaxis and/or treatment of vasopressin-dependent and/or oxytocin-dependent diseases.

  本发明涉及通式（I）的化合物，其中A、B、R1、R2和Het的含义如权利要求1所述；Y是式中的双价基团，其中D是C1-C3-烷基，D可以具有取代基R5；R3是氢、C1-C8-烷基或与R4一起是C1-C3-烷基，该烷基可以具有基团R5a，或与R5一起是C1-C3-烷基，R4是氢、C1-C8-烷基或与R3一起是C1-C3-烷基，该烷基可以具有基团R5a，或与R5一起是C1-C3-烷基，其中R5和R5a（如存在）一起是键或C1-C3-烷基；并且满足以下条件之一：R3与R4一起是可以具有基团R5a的C1-C3-烷基；或R3与R5一起是C1-C3-烷基；或R4与R5一起是C1-C3-烷基，其中当基团B为苯基或萘基时，基团A与苯基不同；以及包含这种化合物的药物以及其用于预防和/或治疗利尿激素依赖性和/或催产素依赖性疾病的用途。
• US8486931B2
  申请人：——

  公开号：US8486931B2

  公开（公告）日：2013-07-16