1-(4-Fluorophenyl)-3-(3-fluoro-5-pyridin-3-yloxyphenyl)urea | 1241384-85-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-Fluorophenyl)-3-(3-fluoro-5-pyridin-3-yloxyphenyl)urea
• CAS: 1241384-85-9
• 化学式: C₁₈H₁₃F₂N₃O₂
• 分子量: 341.317
• InChiKey: FHRQRMIAOTXNNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3,5-二氟硝基苯 在 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-Fluorophenyl)-3-(3-fluoro-5-pyridin-3-yloxyphenyl)urea
  参考文献：
  名称：

  Discovery of Omecamtiv Mecarbil the First, Selective, Small Molecule Activator of Cardiac Myosin

  摘要：

  We report the design, synthesis, and optimization of the first, selective activators of cardiac myosin. Starting with a poorly soluble, nitroaromatic hit compound (1), potent, selective, and soluble myosin activators were designed culminating in the discovery of omecamtiv mecarbil (24). Compound 24 is currently in clinical trials for the treatment of systolic heart failure.

  DOI：

  10.1021/ml100138q

文献信息

• Discovery of <i>Omecamtiv Mecarbil</i> the First, Selective, Small Molecule Activator of Cardiac Myosin
  作者：Bradley P. Morgan、Alexander Muci、Pu-Ping Lu、Xiangping Qian、Todd Tochimoto、Whitney W. Smith、Marc Garard、Erica Kraynack、Scott Collibee、Ion Suehiro、Adam Tomasi、S. Corey Valdez、Wenyue Wang、Hong Jiang、James Hartman、Hector M. Rodriguez、Raja Kawas、Sheila Sylvester、Kathleen A. Elias、Guillermo Godinez、Kenneth Lee、Robert Anderson、Sandra Sueoka、Donghong Xu、Zhengping Wang、Nebojsa Djordjevic、Fady I. Malik、David J. Morgans

  DOI：10.1021/ml100138q

  日期：2010.12.9

  We report the design, synthesis, and optimization of the first, selective activators of cardiac myosin. Starting with a poorly soluble, nitroaromatic hit compound (1), potent, selective, and soluble myosin activators were designed culminating in the discovery of omecamtiv mecarbil (24). Compound 24 is currently in clinical trials for the treatment of systolic heart failure.