N-[[2-(mercaptomethyl)-2,3-dihydro-1H-indene-2-yl]carbonyl]-glycine | 148031-83-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[[2-(mercaptomethyl)-2,3-dihydro-1H-indene-2-yl]carbonyl]-glycine
• 英文别名: [(2-Mercaptomethyl-indane-2-carbonyl)-amino]-acetic acid；2-[[2-(sulfanylmethyl)-1,3-dihydroindene-2-carbonyl]amino]acetic acid
• CAS: 148031-83-8
• 化学式: C₁₃H₁₅NO₃S
• 分子量: 265.333
• InChiKey: HDKKQNZDMWKFME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  67.4
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-[[2-(mercaptomethyl)-2,3-dihydro-1H-indene-2-yl]carbonyl]-glycine 在 硫酸 、 乙酸酐 作用下， 以 溶剂黄146 为溶剂， 生成 N-[[2-[(Acetylthio)methyl]-2,3-dihydro-1H-indene-2-yl]carbonyl]-glycine
  参考文献：
  名称：

  2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide

  摘要：

  本发明涉及新颖的2-巯甲基四氢萘衍生物，这些衍生物作为脑啡肽酶抑制剂具有用途。

  公开号：

  US05252601A1
• 作为产物：
  描述：

  2-茚羧酸 在 氨 、 sodium 、 1-羟基苯并三唑 、 N,N'-二环己基碳二亚胺 、 lithium diisopropyl amide 作用下， 生成 N-[[2-(mercaptomethyl)-2,3-dihydro-1H-indene-2-yl]carbonyl]-glycine
  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

• Novel 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide derivatives as enkephalinase inhibitors
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0516980A1

  公开（公告）日：1992-12-09

  The present invention relates to novel 2-mercaptomethylene-tetrahydronaphthalene derivatives which are useful as enkephalinase inhibitors.

  本发明涉及可用作脑啡肽酶抑制剂的新型 2-巯基亚甲基四氢萘衍生物。
• Synthesis of constrained thiorphan analogs as inhibitors of neutral endopeptidase
  作者：Douglas W. Beight、Shujaath Mehdi、Jack R. Koehl、Gary A. Flynn

  DOI：10.1016/0960-894x(96)00367-8

  日期：1996.9

  Constrained derivatives of thiorphan were prepared and found robe potent inhibitors of neutral endopeptidase 24.11. Copyright (C) 1996 Elsevier Science Ltd
• US5252601A
  申请人：——

  公开号：US5252601A

  公开（公告）日：1993-10-12
• 2-mercaptomethylene-tetrahydronaphthalene and indane-2-carboxamide
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05252601A1

  公开（公告）日：1993-10-12

  The present invention relates to novel 2-mercaptomethylene-tetrahydronaphthalene derivatives which are useful as enkephalinase inhibitors.

  本发明涉及新颖的2-巯甲基四氢萘衍生物，这些衍生物作为脑啡肽酶抑制剂具有用途。
• Studies on the structural feature of S'1 subsite of neprilysin (EC.3.4.24.11): Stereochemical requirement for the enzyme-inhibitor docking process
  作者：Denis Danvy、Thierry Monteil、Jean-Christophe Plaquevent、Lucette Duhamel、Pierre Duhamel、Claude Gros、Nadine Noël、Jean-Charles Schwartz、Jeanne-Marie Lecomte

  DOI：10.1016/0960-894x(96)00448-9

  日期：1996.10

  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.