ethyl 3-(3-methoxyphenyl)-4-nitrobutanoate | 342404-92-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: ethyl 3-(3-methoxyphenyl)-4-nitrobutanoate
• CAS: 342404-92-6
• 化学式: C₁₃H₁₇NO₅
• 分子量: 267.282
• InChiKey: REJKYACPZFMVRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 3-(3-methoxyphenyl)-4-nitrobutanoate 、 氨 以70%的产率得到
  参考文献：
  名称：

  LANGLOIS M.; GUILLONNEAU C.; TRI VO VAN; MAILLARD J.; LANNOY J.; NGUYEN H+, EUR. J. MED. CHEM., 1978, 13, NO 2, 161-169

  摘要：

  DOI：
• 作为产物：
  描述：

  硝基甲烷 、 3-methoxycinnamic acid ethyl ester 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 生成 ethyl 3-(3-methoxyphenyl)-4-nitrobutanoate
  参考文献：
  名称：

  Potent and selective α1A adrenoceptor partial agonists—Novel imidazole frameworks

  摘要：

  Novel imidazole frameworks have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Nitrile 28 possessed attractive CNS drug-like properties with good membrane permeability and no P-pg mediated efflux. 28 also possessed excellent solubility, metabolic stability and wide ligand selectivity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.03.162

文献信息

• GSK-3BETA INHIBITOR
  申请人：Kori Masakuni

  公开号：US20110039893A1

  公开（公告）日：2011-02-17

  For the purpose of providing a GSK-3β inhibitor containing a 2-aminopyridine compound or a salt thereof or a prodrug thereof useful as an agent for the prophylaxis or treatment of a GSK-3β-related pathology or disease, the present invention provides a GSK-3β inhibitor containing a compound represented by the formula (IA): wherein each symbol is as defined in the specification. or a salt thereof or a prodrug thereof.

  为了提供一种含有2-氨基吡啶化合物或其盐或其前药的GSK-3β抑制剂，用作GSK-3β相关病理或疾病的预防或治疗剂，本发明提供了一种含有由下式（IA）表示的化合物的GSK-3β抑制剂： 其中每个符号如规范中定义。 或其盐或其前药。
• Potent and selective α1A adrenoceptor partial agonists—Novel imidazole frameworks
  作者：Gavin A. Whitlock、Paul E. Brennan、Lee R. Roberts、Alan Stobie

  DOI：10.1016/j.bmcl.2009.03.162

  日期：2009.6

  Novel imidazole frameworks have been identified as potent partial agonists of the alpha(1A) adrenergic receptor, with good selectivity over the alpha(1B), alpha(1D) and alpha(2A) receptor sub-types. Nitrile 28 possessed attractive CNS drug-like properties with good membrane permeability and no P-pg mediated efflux. 28 also possessed excellent solubility, metabolic stability and wide ligand selectivity. (C) 2009 Elsevier Ltd. All rights reserved.
• LANGLOIS M.; GUILLONNEAU C.; TRI VO VAN; MAILLARD J.; LANNOY J.; NGUYEN H+, EUR. J. MED. CHEM., 1978, 13, NO 2, 161-169
  作者：LANGLOIS M.、 GUILLONNEAU C.、 TRI VO VAN、 MAILLARD J.、 LANNOY J.、 NGUYEN H+

  DOI：——

  日期：——