(2E)-3-(3-乙酰氨基苯基)丙烯酸 | 32862-98-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 中文名称: (2E)-3-(3-乙酰氨基苯基)丙烯酸
• 英文名称: 3-(3-Acetamidophenyl)prop-2-enoic acid
• CAS: 32862-98-9
• 化学式: C₁₁H₁₁NO₃
• 分子量: 205.213
• InChiKey: KTAKAZFXCAYSDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  66.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2E)-3-(3-乙酰氨基苯基)丙烯酸 、 氯甲酸乙酯 在 三乙胺 作用下， 以 丙酮 为溶剂， 生成
  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
• 作为产物：
  描述：

  m-aminocinnamic acid 、 乙酸酐 在 溶剂黄146 作用下， 生成 (2E)-3-(3-乙酰氨基苯基)丙烯酸
  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

• Isoquinolinone Rho kinase inhibitors
  申请人：Bosanac Todd

  公开号：US08809326B2

  公开（公告）日：2014-08-19

  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.

  本发明涉及一种新型的取代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，用于治疗多种通过Rho激酶的活性介导或维持的疾病和疾病，包括心血管疾病，包括这些化合物的制药组合物，使用这些化合物的方法以及制备这些化合物的过程。
• RHO KINASE INHIBITORS
  申请人：Aerie Pharmaceuticals, Inc.

  公开号：US20160243102A1

  公开（公告）日：2016-08-25

  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.

  本发明涉及一种新的取代的2H-异喹啉-1-酮和3H-喹唑啉-4-酮衍生物，其可用作Rho激酶的抑制剂，用于治疗多种通过Rho激酶的活性介导或维持的疾病和障碍，包括心血管疾病，以及包含这种化合物的制药组合物，使用这种化合物的方法以及制备这种化合物的方法。
• 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.