N-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-phenyl-acetamide | 1013117-84-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: N-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-phenyl-acetamide
• 英文别名: N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-phenylacetamide；N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
• CAS: 1013117-84-4
• 化学式: C₁₇H₁₃ClN₂O₂
• 分子量: 312.755
• InChiKey: NUMKSHPDXMTIAA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  6-amino-7-chloro-2H-isoquinolin-1-one 、 苯乙酰氯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(7-chloro-1-oxo-1,2-dihydro-isoquinolin-6-yl)-2-phenyl-acetamide
  参考文献：
  名称：

  Substituted 2H-isoquinolin-1-one as potent Rho-Kinase inhibitors. Part 1: Hit-to-lead account

  摘要：

  Two closely related scaffolds were identified through an uHTS campaign as desirable starting points for the development of Rho-Kinase (ROCK) inhibitors. Here, we describe our hit-to-lead evaluation process which culminated in the rapid discovery of potent leads such as 22 which successfully demonstrated an early in vivo proof of concept for anti-hypertensive activity. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.070

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-one as potent Rho-Kinase inhibitors. Part 1: Hit-to-lead account
  作者：Frank Wu、Frank H. Büttner、Rhonda Chen、Eugene Hickey、Scott Jakes、Paul Kaplita、Mohammed A. Kashem、Steven Kerr、Stanley Kugler、Zofia Paw、Anthony Prokopowicz、Cheng-Kon Shih、Roger Snow、Erick Young、Charles L. Cywin

  DOI：10.1016/j.bmcl.2010.04.070

  日期：2010.6

  Two closely related scaffolds were identified through an uHTS campaign as desirable starting points for the development of Rho-Kinase (ROCK) inhibitors. Here, we describe our hit-to-lead evaluation process which culminated in the rapid discovery of potent leads such as 22 which successfully demonstrated an early in vivo proof of concept for anti-hypertensive activity. (C) 2010 Elsevier Ltd. All rights reserved.