N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)benzamide | 1233719-56-6

• 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-dihydroisoquinolin-6-yl)benzamide
• 英文别名: N-(7-chloro-1-oxo-2H-isoquinolin-6-yl)benzamide
• CAS: 1233719-56-6
• 化学式: C₁₆H₁₁ClN₂O₂
• 分子量: 298.729
• InChiKey: CGYVWNFDAWEANQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 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 、 苯甲酰氯 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-dihydroisoquinolin-6-yl)benzamide
  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

• 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.