(3R,4S)-4-(3-Bromophenyl)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: (3R,4S)-4-(3-Bromophenyl)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid
• 英文别名: (3R,4S)-4-(3-bromophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
• 化学式: C₁₆H₂₀BrNO₄
• 分子量: 370.243
• InChiKey: WLZJBSBJNUMFEY-OLZOCXBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-amino-7-chloro-2H-isoquinolin-1-one 、 (3R,4S)-4-(3-Bromophenyl)-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid 在 吡啶 、 三氯氧磷 作用下， 生成
  参考文献：
  名称：

  Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 3, aryl substituted pyrrolidines

  摘要：

  The discovery and SAR of a series of beta-aryl substituted pyrrolidine 2H-isoquinolin-1-one inhibitors of Rho-kinase (ROCK) derived from 2 is herein described. SAR studies have shown that aryl groups in the beta-position are optimal for potency. Our efforts focused on improving the ROCK potency of this isoquinolone class of inhibitors which led to the identification of pyrrolidine 32 which demonstrated a 10-fold improvement in aortic ring (AR) potency over 2. (C) 2010 Elsevier Ltd. All rights reserved. NH

  DOI：

  10.1016/j.bmcl.2010.04.069

文献信息

• RHO KINASE INHIBITORS
  申请人：GINN John David

  公开号：US20120178752A1

  公开（公告）日：2012-07-12

  The present invention relates to compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 and X are as defined herein. The invention also relates to pharmaceutical compositions comprising these compounds, methods of using these compounds in the treatment of various diseases and disorders, processes for preparing these compounds and intermediates useful in these processes.

  本发明涉及式(I)的化合物及其药学上可接受的盐，其中R1和X的定义如本文所述。本发明还涉及包含这些化合物的制药组合物，使用这些化合物治疗各种疾病和疾病的方法，制备这些化合物的过程以及在这些过程中有用的中间体。
• US9079880B2
  申请人：——

  公开号：US9079880B2

  公开（公告）日：2015-07-14
• Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 3, aryl substituted pyrrolidines
  作者：Todd Bosanac、Eugene R. Hickey、John Ginn、Mohammed Kashem、Steven Kerr、Stanley Kugler、Xiang Li、Alan Olague、Sabine Schlyer、Erick R.R. Young

  DOI：10.1016/j.bmcl.2010.04.069

  日期：2010.6

  The discovery and SAR of a series of beta-aryl substituted pyrrolidine 2H-isoquinolin-1-one inhibitors of Rho-kinase (ROCK) derived from 2 is herein described. SAR studies have shown that aryl groups in the beta-position are optimal for potency. Our efforts focused on improving the ROCK potency of this isoquinolone class of inhibitors which led to the identification of pyrrolidine 32 which demonstrated a 10-fold improvement in aortic ring (AR) potency over 2. (C) 2010 Elsevier Ltd. All rights reserved. NH