(R)-3-((S)-1-Cyclohexylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-6-phenyl-hexanoic acid | 343256-70-2

• 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: (R)-3-((S)-1-Cyclohexylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-6-phenyl-hexanoic acid
• 英文别名: (3R)-3-[[(2S)-1-(cyclohexylamino)-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-6-phenylhexanoic acid
• CAS: 343256-70-2
• 化学式: C₂₅H₃₈N₂O₄
• 分子量: 430.588
• InChiKey: KMQAVDUVVBJBAN-DENIHFKCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  95.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (R)-3-((S)-1-Cyclohexylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-6-phenyl-hexanoic acid 在 bis(triphenylphosphine) palladium (Il) acetate 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 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 生成 (R)-N¹-((S)-1-Cyclohexylcarbamoyl-2,2-dimethyl-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：

  (2S)-3,3-dimethyl-2-[[(2R)-2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-phenylpentanoyl]amino]butanoic acid 在 2,3,5-三甲基吡啶 、 盐酸 作用下， 以 二氯甲烷 为溶剂， 生成 (R)-3-((S)-1-Cyclohexylcarbamoyl-2,2-dimethyl-propylcarbamoyl)-6-phenyl-hexanoic 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