ethyl (E)-3-(3,4-diaminophenyl)-2-methylprop-2-enoate | 713511-82-1

• 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
• 英文名称: ethyl (E)-3-(3,4-diaminophenyl)-2-methylprop-2-enoate
• CAS: 713511-82-1
• 化学式: C₁₂H₁₆N₂O₂
• 分子量: 220.271
• InChiKey: MPYIGRLUIHVGDT-SOFGYWHQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  78.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl (E)-3-(3,4-diaminophenyl)-2-methylprop-2-enoate 在 sodium hydroxide 、 sodium hydrogensulfite 作用下， 以 甲醇 、 乙醇 为溶剂， 生成 3-(2-(6-(4-tert-butylphenyl)pyridin-2-yl)-1H-benzo[d]imidazol-5-yl)-2-methylacrylic acid
  参考文献：
  名称：

  New benzimidazoles as thrombopoietin receptor agonists

  摘要：

  A novel benzimidazole series of small-molecule thrombopoietin receptor agonists has been discovered. Herein, we discuss the preliminary exploration of structure-activity relationships within this chemotype. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.096
• 作为产物：
  描述：

  N-(4-甲酰基-2-硝基苯基)乙酰胺 在 platinum(IV) oxide 氢气 、 potassium carbonate 作用下， 以 乙醇 、 二氯甲烷 、 乙酸乙酯 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 生成 ethyl (E)-3-(3,4-diaminophenyl)-2-methylprop-2-enoate
  参考文献：
  名称：

  New benzimidazoles as thrombopoietin receptor agonists

  摘要：

  A novel benzimidazole series of small-molecule thrombopoietin receptor agonists has been discovered. Herein, we discuss the preliminary exploration of structure-activity relationships within this chemotype. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.096

文献信息

• Thrombopoietin mimetics
  申请人：Heerding A Dirk

  公开号：US20060084682A1

  公开（公告）日：2006-04-20

  Invented are non-peptide TPO mimetics. Also invented are novel processes and intermediates used in the preparation of the presently invented compounds. Also invented is a method of treating thrombocytopenia, in a mammal, including a human, in need thereof which comprises administering to such mammal an effective amount of a selected benzimidazole derivative.

  发明了非肽类TPO类似物。还发明了用于制备目前发明的化合物的新型过程和中间体。还发明了一种治疗血小板减少症的方法，包括在需要治疗的哺乳动物中，包括人类，在该哺乳动物中投与所选苯并咪唑衍生物的有效量。
• THROMBOPOIETIN MIMETICS
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1581527A2

  公开（公告）日：2005-10-05
• EP1581527A4
  申请人：——

  公开号：EP1581527A4

  公开（公告）日：2006-11-22
• [EN] THROMBOPOIETIN MIMETICS<br/>[FR] MIMETIQUES DE LA THROMBOPOIETINE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2004054515A2

  公开（公告）日：2004-07-01

  Invented are non-peptide TPO mimetics. Also invented are novel processes and intermediates used in the preparation of the presently invented compounds. Also invented is a method of treating thrombocytopenia, in a mammal, including a human, in need thereof which comprises administering to such mammal an effective amount of a selected benzimidazole derivative.
• New benzimidazoles as thrombopoietin receptor agonists
  作者：Igor G. Safonov、Dirk A. Heerding、Richard M. Keenan、Alan T. Price、Connie L. Erickson-Miller、Christopher B. Hopson、Jenna L. Levin、Kenneth A. Lord、Peter M. Tapley

  DOI：10.1016/j.bmcl.2005.11.096

  日期：2006.3

  A novel benzimidazole series of small-molecule thrombopoietin receptor agonists has been discovered. Herein, we discuss the preliminary exploration of structure-activity relationships within this chemotype. (C) 2005 Elsevier Ltd. All rights reserved.