(2,4'-difluoro-3'-methylbiphenyl-3-yl)hydrazine hydrochloride | 1082071-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (2,4'-difluoro-3'-methylbiphenyl-3-yl)hydrazine hydrochloride
• CAS: 1082071-93-9
• 化学式: C₁₃H₁₂F₂N₂*ClH
• 分子量: 270.709
• InChiKey: FKABXYTUNFWJDW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  38.05
• 氢给体数：
  2.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 (2,4'-difluoro-3'-methylbiphenyl-3-yl)hydrazine hydrochloride 在 溶剂黄146 、 zinc(II) chloride 作用下， 生成 3-(4,5-dihydro-1H-imidazol-2-yl)-10-fluoro-9-(4-fluoro-3-methylphenyl)-6,11-dihydro-5H-benzo[a]carbazole
  参考文献：
  名称：

  Discovery and biological evaluation of benzo[a]carbazole-based small molecule agonists of the thrombopoietin (Tpo) receptor

  摘要：

  A novel series of benzo[a] carbazole-based small molecule agonists of the thrombopoietin (Tpo) receptor is reported. Starting from a 3.4 mu M high throughput screen hit, members of this series have been identified which are full agonists with functional potency < 50 nM and oral bioavailability in mice. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.08.068

文献信息

• Optimization of small molecule agonists of the thrombopoietin (Tpo) receptor derived from a benzo[a]carbazole hit scaffold
  作者：Thomas H. Marsilje、Phil B. Alper、Wenshuo Lu、Daniel Mutnick、Pierre-Yves Michellys、Yun He、Donald S. Karanewsky、Donald Chow、Andrea Gerken、Jianmin Lao、Min-Ju Kim、H. Martin Seidel、Shin-Shay Tian

  DOI：10.1016/j.bmcl.2008.08.077

  日期：2008.10

  The lead optimization of a novel series of benzo[a] carbazole-based small molecule agonists of the thrombopoietin (Tpo) receptor is reported. The chemical instability of the dihydro-benzo[a] carbazole lead 2 was successfully addressed in the design and evaluation of compounds which also demonstrated improved potency compared to 2. Members of the scaffold have been identified which are full agonists that demonstrate cellular functional potency < 50 nM. Analog 21 demonstrates equivalent efficacy in the human megakaryocyte differentiation (CFU-mega) assay compared to Eltrombopag(TM). (C) 2008 Elsevier Ltd. All rights reserved.