(R)-3-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-ethylcarbamoyl]-5-methyl-hexanoic acid tert-butyl ester | 210711-38-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-3-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-ethylcarbamoyl]-5-methyl-hexanoic acid tert-butyl ester
• CAS: 210711-38-9
• 化学式: C₂₉H₃₆N₂O₄
• 分子量: 476.616
• InChiKey: GTLDUMIPNGQVCC-BWKNWUBXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.47
• 重原子数：
  35.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  88.26
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (R)-3-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-ethylcarbamoyl]-5-methyl-hexanoic acid tert-butyl ester 在 三氟乙酸 作用下， 生成 (3R)-3-[[(2S)-1-(1H-indol-3-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-5-methylhexanoic acid
  参考文献：
  名称：

  Aryl ketones as novel replacements for the C-terminal amide bond of succinyl hydroxamate MMP inhibitors

  摘要：

  A series of succinyl hydroxamate MMP inhibitors were prepared incorporating an aryl amino ketone moiety in place of the more typical C-terminal amino acid amides. Compounds of the C-terminal ketone series displayed potent inhibition of MMPs. Several compounds of the series were shown to be orally bioavailable. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00597-6
• 作为产物：
  描述：

  (S)-(-)-4-苄基氧氮杂环戊烷-2,5-二酮 在 三氯化铝 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 (R)-3-[(S)-1-Benzyl-2-(1H-indol-3-yl)-2-oxo-ethylcarbamoyl]-5-methyl-hexanoic acid tert-butyl ester
  参考文献：
  名称：

  Aryl ketones as novel replacements for the C-terminal amide bond of succinyl hydroxamate MMP inhibitors

  摘要：

  A series of succinyl hydroxamate MMP inhibitors were prepared incorporating an aryl amino ketone moiety in place of the more typical C-terminal amino acid amides. Compounds of the C-terminal ketone series displayed potent inhibition of MMPs. Several compounds of the series were shown to be orally bioavailable. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00597-6