(2S)-3,3-dimethyl-2-[[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoyl]amino]butanoic acid | 218167-60-3

• 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: (2S)-3,3-dimethyl-2-[[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoyl]amino]butanoic acid
• CAS: 218167-60-3
• 化学式: C₂₃H₃₅NO₅
• 分子量: 405.535
• InChiKey: HOJFRDXXHDIPCL-IEBWSBKVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  92.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (2S)-3,3-dimethyl-2-[[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoyl]amino]butanoic acid 在 bis(triphenylphosphine) palladium (Il) acetate 2,3,5-三甲基吡啶 、 盐酸 、 ammonium formate 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 (R)-N¹-((S)-2,2-Dimethyl-1-phenylcarbamoyl-propyl)-N⁴-hydroxy-2-(3-phenyl-propyl)-succinamide
  参考文献：
  名称：

  Selectivity of inhibition of matrix metalloproteases MMP-3 and MMP-2 by succinyl hydroxamates and their carboxylic acid analogues is dependent on P3′ group chirality

  摘要：

  Structure-activity relationships are described for a series of succinyl hydroxamic acids 1a-o and their carboxylic acid analogues 2a-o as inhibitors of matrix metalloproteases MMP-3 and MMP-2. For this series (P1' =(CH2)(3)Ph, P2'=t-Bu) selectivity for the inhibition of MMP-2 was found to be strongly dependent on P3' (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00719-8
• 作为产物：
  描述：

  tert-leucine benzyl ester 在 palladium on activated charcoal 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 作用下， 以 乙醇 、 二氯甲烷 、 水 为溶剂， 20.0 ℃ 、300.0 kPa 条件下， 反应 18.0h， 生成 (2S)-3,3-dimethyl-2-[[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoyl]amino]butanoic acid
  参考文献：
  名称：

  Selectivity of inhibition of matrix metalloproteases MMP-3 and MMP-2 by succinyl hydroxamates and their carboxylic acid analogues is dependent on P3′ group chirality

  摘要：

  Structure-activity relationships are described for a series of succinyl hydroxamic acids 1a-o and their carboxylic acid analogues 2a-o as inhibitors of matrix metalloproteases MMP-3 and MMP-2. For this series (P1' =(CH2)(3)Ph, P2'=t-Bu) selectivity for the inhibition of MMP-2 was found to be strongly dependent on P3' (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00719-8

文献信息

• Selectivity of inhibition of matrix metalloproteases MMP-3 and MMP-2 by succinyl hydroxamates and their carboxylic acid analogues is dependent on P3′ group chirality
  作者：M.Jonathan Fray、M.Frank Burslem、RogerP Dickinson

  DOI：10.1016/s0960-894x(00)00719-8

  日期：2001.2

  Structure-activity relationships are described for a series of succinyl hydroxamic acids 1a-o and their carboxylic acid analogues 2a-o as inhibitors of matrix metalloproteases MMP-3 and MMP-2. For this series (P1' =(CH2)(3)Ph, P2'=t-Bu) selectivity for the inhibition of MMP-2 was found to be strongly dependent on P3' (C) 2001 Elsevier Science Ltd. All rights reserved.