1-(carboxy)-1-(carbo-t-butyloxymethyl)cyclopentane | 150440-79-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 1-(carboxy)-1-(carbo-t-butyloxymethyl)cyclopentane
• 英文别名: 1-[2-[(2-Methylpropan-2-yl)oxy]-2-oxoethyl]cyclopentane-1-carboxylic acid
• CAS: 150440-79-2
• 化学式: C₁₂H₂₀O₄
• 分子量: 228.288
• InChiKey: BXEZSBFRHXXUTR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(carboxy)-1-(carbo-t-butyloxymethyl)cyclopentane 在 乙胺嗪 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 1-羟基苯并三唑 、 三氟乙酸 作用下， 以 二氯甲烷 、 三乙胺 为溶剂， 生成 1-(Benzyloxycarbamoyl-methyl)-cyclopentanecarboxylic acid [(S)-2-(4-methoxy-phenyl)-1-methylcarbamoyl-ethyl]-amide
  参考文献：
  名称：

  Inhibitors of MMP-1: an examination of P1′ Cα gem-disubstitution in the succinamide hydroxamate series

  摘要：

  The effect of P-1' C-alpha gem-disubstitution in a series of succinamide hydroxamate inhibitors of MMP-1 has been investigated. While in all cases P-1' gem-disubstitution led to loss of potency relative to the corresponding P-1' isobutyl and phenyl compounds 1 and 3, respectively, the loss of activity was less pronounced in certain instances, e.g., the P-1' gem-cyclohexyl analogue 12 (IC50 = 0.15 mu M). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00303-4
• 作为产物：
  描述：

  环戊烷羧酸苄酯 在 palladium on activated charcoal 氢气 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 1-(carboxy)-1-(carbo-t-butyloxymethyl)cyclopentane
  参考文献：
  名称：

  Inhibitors of MMP-1: an examination of P1′ Cα gem-disubstitution in the succinamide hydroxamate series

  摘要：

  The effect of P-1' C-alpha gem-disubstitution in a series of succinamide hydroxamate inhibitors of MMP-1 has been investigated. While in all cases P-1' gem-disubstitution led to loss of potency relative to the corresponding P-1' isobutyl and phenyl compounds 1 and 3, respectively, the loss of activity was less pronounced in certain instances, e.g., the P-1' gem-cyclohexyl analogue 12 (IC50 = 0.15 mu M). Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00303-4

文献信息

• 2-substituted indane-2-carboxyalkyl derivatives useful as inhibitors of
  申请人：Merrell Dow Pharmaceuticals Inc.

  公开号：US05457196A1

  公开（公告）日：1995-10-10

  The present invention relates to novel 2-substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ACE.

  本发明涉及新颖的2-取代茚满-2-羧基烷基衍生物，其作为脑啡肽酶和ACE抑制剂有效。
• 2-Substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ace
  申请人：MERRELL PHARMACEUTICALS INC.

  公开号：EP0534396A2

  公开（公告）日：1993-03-31

  The present invention relates to novel 2-substituted indane-2-carboxyalkyl derivatives useful as inhibitors of enkephalinase and ACE.

  本发明涉及可用作脑啡肽酶和 ACE 抑制剂的新型 2-取代茚满-2-羧基烷基衍生物。
• US5457196A
  申请人：——

  公开号：US5457196A

  公开（公告）日：1995-10-10
• US5591739A
  申请人：——

  公开号：US5591739A

  公开（公告）日：1997-01-07
• Inhibitors of MMP-1: an examination of P1′ Cα gem-disubstitution in the succinamide hydroxamate series
  作者：Ralph P. Robinson、John A. Ragan、Brian J. Cronin、Kathleen M. Donahue、Lori L. Lopresti-Morrow、Peter G. Mitchell、Lisa M. Reeves、Sue A. Yocum

  DOI：10.1016/0960-894x(96)00303-4

  日期：1996.7

  The effect of P-1' C-alpha gem-disubstitution in a series of succinamide hydroxamate inhibitors of MMP-1 has been investigated. While in all cases P-1' gem-disubstitution led to loss of potency relative to the corresponding P-1' isobutyl and phenyl compounds 1 and 3, respectively, the loss of activity was less pronounced in certain instances, e.g., the P-1' gem-cyclohexyl analogue 12 (IC50 = 0.15 mu M). Copyright (C) 1996 Elsevier Science Ltd