(E)-2-acetylthiomethyl-3-phenylpropenoic acid | 135793-89-4

• 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: (E)-2-acetylthiomethyl-3-phenylpropenoic acid
• 英文别名: (E)-2-(acetylsulfanylmethyl)-3-phenylprop-2-enoic acid
• CAS: 135793-89-4
• 化学式: C₁₂H₁₂O₃S
• 分子量: 236.291
• InChiKey: DTHYHTBJUYIRAM-XFFZJAGNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  79.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甘氨酸苄酯盐酸盐 、 (E)-2-acetylthiomethyl-3-phenylpropenoic acid 在 lithium hydroxide 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 作用下， 生成 ((E)-2-Mercaptomethyl-3-phenyl-acryloylamino)-acetic acid
  参考文献：
  名称：

  Studies on the structural feature of S'1 subsite of neprilysin (EC.3.4.24.11): Stereochemical requirement for the enzyme-inhibitor docking process

  摘要：

  The preferred conformation of thiorphan during the inhibitor-neprilysin docking process was investigated. A series of achiral inhibitors were tested. This study led to the design of a potent inhibitor, in which the ethylenic bond bears the aryl residue of P'1. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0960-894x(96)00448-9
• 作为产物：
  描述：

  3-苯基-2-甲基丙-2-烯酸 在 N-溴代丁二酰亚胺(NBS) 、 氢气 、 potassium carbonate 、 二环己胺 、 过氧化苯甲酰 作用下， 反应 16.0h， 生成 (E)-2-acetylthiomethyl-3-phenylpropenoic acid
  参考文献：
  名称：

  Studies on the structural feature of S'1 subsite of neprilysin (EC.3.4.24.11): Stereochemical requirement for the enzyme-inhibitor docking process

  摘要：

  The preferred conformation of thiorphan during the inhibitor-neprilysin docking process was investigated. A series of achiral inhibitors were tested. This study led to the design of a potent inhibitor, in which the ethylenic bond bears the aryl residue of P'1. Copyright (C) 1996 Elsevier Science Ltd.

  DOI：

  10.1016/0960-894x(96)00448-9

文献信息

• Amino acid, derivatives, processes for their preparation and their
  申请人：Societe Civile Bioproject

  公开号：US05612371A1

  公开（公告）日：1997-03-18

  New amino acid derivatives, processes for their preparation and their therapeutic application. Amino acid derivatives corresponding to the general formulae ##STR1## These derivatives may be used as medicaments which exhibit an enkephalinase-inhibitory activity.

  新的氨基酸衍生物，其制备过程及其治疗应用。对应于以下一般式的氨基酸衍生物：##STR1## 这些衍生物可用作药物，具有阻止脑内啡酰胺酶的活性。
• Amino acid derivatives, processes for their preparation and their
  申请人：Societe Civile Bioprojet

  公开号：US05646313A1

  公开（公告）日：1997-07-08

  New amino acid derivatives, processes for their preparation, and their therapeutic application are described. These amino acid derivatives correspond to the general formulae ##STR1## These derivatives may be used as medicaments which exhibit an enkephalinase-inhibitory activity.

  本文描述了新的氨基酸衍生物，它们的制备过程以及它们的治疗应用。这些氨基酸衍生物对应于以下通式：##STR1## 这些衍生物可以用作药物，具有脑内啡肽酶抑制活性。
• MERCAPTOACYLAMINO ACIDS AS METALLO-BETA-LACTAMASE INHIBITORS
  申请人：SMITHKLINE BEECHAM PLC

  公开号：EP1000024A1

  公开（公告）日：2000-05-17
• US5612371A
  申请人：——

  公开号：US5612371A

  公开（公告）日：1997-03-18
• US5646313A
  申请人：——

  公开号：US5646313A

  公开（公告）日：1997-07-08