(S)-2-[(1-{[(S)-1-((S)-6-Benzyloxycarbonylamino-2-methanesulfonylamino-hexanoylamino)-2-phenyl-ethyl]-hydroxy-phosphinoylmethyl}-cyclopentanecarbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid | 760152-88-3

• 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: (S)-2-[(1-{[(S)-1-((S)-6-Benzyloxycarbonylamino-2-methanesulfonylamino-hexanoylamino)-2-phenyl-ethyl]-hydroxy-phosphinoylmethyl}-cyclopentanecarbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid
• 英文别名: (2S)-2-[[1-[[hydroxy-[(1S)-1-[[(2S)-2-(methanesulfonamido)-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylethyl]phosphoryl]methyl]cyclopentanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
• CAS: 760152-88-3
• 化学式: C₄₁H₅₂N₅O₁₀PS
• 分子量: 837.931
• InChiKey: NDJGPSWSERIEPY-KVBYWJEESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  58
• 可旋转键数：
  22
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  242
• 氢给体数：
  7
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (S)-2-[(1-{[(S)-1-((S)-6-Benzyloxycarbonylamino-2-methanesulfonylamino-hexanoylamino)-2-phenyl-ethyl]-hydroxy-phosphinoylmethyl}-cyclopentanecarbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 (2S)-2-[[1-[[[(1S)-1-[[(2S)-6-amino-2-(methanesulfonamido)hexanoyl]amino]-2-phenylethyl]-hydroxyphosphoryl]methyl]cyclopentanecarbonyl]amino]-3-(1H-indol-3-yl)propanoic acid
  参考文献：
  名称：

  Design and synthesis of phosphinic acids that triply inhibit endothelin converting enzyme, angiotensin converting enzyme and neutral endopeptidase 24.11

  摘要：

  We have synthesized a series of phosphinic acids as inhibitors of a metalloprotease endothelin converting enzyme (ECE). Potent ECE inhibitors 4g and 4o were identified. These compounds are members of a novel class of ECE inhibitors that are also potent inhibitors of angiotensin converting enzyme and neutral endopeptidase. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00297-1
• 作为产物：
  描述：

  t-Butyl 1-(Hydroxymethyl)cyclopentanecarboxylate 在 N-甲基吗啉 、 盐酸 、 lithium hydroxide 、 乙胺嗪 、 1-羟基苯并三唑 、 N,N'-羰基二咪唑 、 lithium diisopropyl amide 作用下， 以 1,4-二氧六环 、 吡啶 、 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 生成 (S)-2-[(1-{[(S)-1-((S)-6-Benzyloxycarbonylamino-2-methanesulfonylamino-hexanoylamino)-2-phenyl-ethyl]-hydroxy-phosphinoylmethyl}-cyclopentanecarbonyl)-amino]-3-(1H-indol-3-yl)-propionic acid
  参考文献：
  名称：

  Design and synthesis of phosphinic acids that triply inhibit endothelin converting enzyme, angiotensin converting enzyme and neutral endopeptidase 24.11

  摘要：

  We have synthesized a series of phosphinic acids as inhibitors of a metalloprotease endothelin converting enzyme (ECE). Potent ECE inhibitors 4g and 4o were identified. These compounds are members of a novel class of ECE inhibitors that are also potent inhibitors of angiotensin converting enzyme and neutral endopeptidase. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00297-1

文献信息

• Design and synthesis of phosphinic acids that triply inhibit endothelin converting enzyme, angiotensin converting enzyme and neutral endopeptidase 24.11
  作者：Brian A. McKittrick、Andrew W. Stamford、Xiaoyu Weng、Ke Ma、Samuel Chackalamannil、Michael Czarniecki、ReneéM. Cleven、Ahmad B. Fawzi

  DOI：10.1016/0960-894x(96)00297-1

  日期：1996.7

  We have synthesized a series of phosphinic acids as inhibitors of a metalloprotease endothelin converting enzyme (ECE). Potent ECE inhibitors 4g and 4o were identified. These compounds are members of a novel class of ECE inhibitors that are also potent inhibitors of angiotensin converting enzyme and neutral endopeptidase. Copyright (C) 1996 Elsevier Science Ltd