2-amino-N-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-acetamide | 1013118-22-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-amino-N-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-acetamide
• 英文别名: 2-amino-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)acetamide；2-amino-N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)acetamide
• CAS: 1013118-22-3
• 化学式: C₁₁H₁₀ClN₃O₂
• 分子量: 251.672
• InChiKey: VWNTXLKHVHGBHD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  84.2
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  在 盐酸 作用下， 以 二氯甲烷 为溶剂， 以50%的产率得到2-amino-N-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-acetamide
  参考文献：
  名称：

  Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 2, optimization for blood pressure reduction in spontaneously hypertensive rats

  摘要：

  Phenylglycine substituted isoquinolones 1 and 2 have previously been described as potent dual ROCK1/ROCK2 inhibitors. Here we describe the further SAR of this series to improve metabolic stability and rat oral exposure. Piperidine analog 20 which demonstrates sustained blood pressure normalization in an SHR blood pressure reduction model was identified through this effort. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.014

文献信息

• RHO KINASE INHIBITORS
  申请人：Bosanac Todd

  公开号：US20080161297A1

  公开（公告）日：2008-07-03

  Disclosed are novel substituted 2H-isoquinolin-1-one and 3H-quinazolin-4-one derivatives useful as inhibitors of Rho kinase and for treating a variety of diseases and disorders that are mediated or sustained through the activity of Rho kinase, including cardiovascular diseases, pharmaceutical compositions comprising such compounds, methods for using such compounds and processes for making such compounds.

  揭示了一种新颖的取代的2H-异喹啉-1-酮和3H-喹唑啉-4-酮衍生物，可用作Rho激酶的抑制剂，用于治疗通过Rho激酶活性介导或维持的各种疾病和疾病，包括心血管疾病，包含这些化合物的药物组合物，使用这些化合物的方法以及制备这些化合物的方法。
• Rho kinase inhibitors
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US10624882B2

  公开（公告）日：2020-04-21

  Disclosed are novel substituted 2H-isoquinolin-1-one and 3H-quinazolin-4-one derivatives useful as inhibitors of Rho kinase and for treating a variety of diseases and disorders that are mediated or sustained through the activity of Rho kinase, including cardiovascular diseases, pharmaceutical compositions comprising such compounds, methods for using such compounds and processes for making such compounds.

  所公开的是新型取代的 2H-isoquinolin-1-one 和 3H-quinazolin-4-one 衍生物，可作为 Rho 激酶的抑制剂，用于治疗通过 Rho 激酶的活性介导或维持的各种疾病和失调，包括心血管疾病；还公开了包含此类化合物的药物组合物、使用此类化合物的方法和制造此类化合物的工艺。
• US8809326B2
  申请人：——

  公开号：US8809326B2

  公开（公告）日：2014-08-19
• [EN] RHO KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA RHO-KINASE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2008036540A2

  公开（公告）日：2008-03-27

  [EN] Disclosed are novel substituted 2H-isoquinolin-1-one and 3H-quinazolin-4-one derivatives useful as inhibitors of Rho kinase and for treating a variety of diseases and disorders that are mediated or sustained through the activity of Rho kinase, including cardiovascular diseases, pharmaceutical compositions comprising such compounds, methods for using such compounds and processes for making such compounds.
  [FR] L'invention concerne de nouveaux dérivés de 2H-isoquinolin-1-one et 3H-quinazolin-4-one substitués, utiles en tant qu'inhibiteurs de la rho-kinase ainsi que pour traiter divers troubles et maladies dont la médiation ou le prolongement est assuré par l'activité de la rho-kinase, y compris des maladies cardiovasculaires. L'invention concerne également des compositions pharmaceutiques comprenant de tels composés, des procédés pour utiliser de tels composés et des processus pour fabriquer de tels composés.
• Substituted 2H-isoquinolin-1-ones as potent Rho-kinase inhibitors: Part 2, optimization for blood pressure reduction in spontaneously hypertensive rats
  作者：John D. Ginn、Todd Bosanac、Rhonda Chen、Charles Cywin、Eugene Hickey、Mohammed Kashem、Steven Kerr、Stanley Kugler、Xiang Li、Anthony Prokopowicz、Sabine Schlyer、James D. Smith、Michael R. Turner、Frank Wu、Erick R.R. Young

  DOI：10.1016/j.bmcl.2010.07.014

  日期：2010.9

  Phenylglycine substituted isoquinolones 1 and 2 have previously been described as potent dual ROCK1/ROCK2 inhibitors. Here we describe the further SAR of this series to improve metabolic stability and rat oral exposure. Piperidine analog 20 which demonstrates sustained blood pressure normalization in an SHR blood pressure reduction model was identified through this effort. (C) 2010 Elsevier Ltd. All rights reserved.