2-[2-Methyl-prop-(E)-ylidene]-succinic acid diethyl ester | 100315-89-7

• 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: 2-[2-Methyl-prop-(E)-ylidene]-succinic acid diethyl ester
• 英文别名: Diethyl isobutylidenesuccinate；diethyl 2-(2-methylpropylidene)butanedioate
• CAS: 100315-89-7
• 化学式: C₁₂H₂₀O₄
• 分子量: 228.288
• InChiKey: NNEYLXDJQVJQPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2-Methyl-prop-(E)-ylidene]-succinic acid diethyl ester 在 sodium hydroxide 、 乙酰氯 作用下， 反应 75.0h， 生成 isobutylidenesuccinic anhydride
  参考文献：
  名称：

  MMPs inhibitors: new succinylhydroxamates with selective inhibition of MMP-2 over MMP-3

  摘要：

  Some ilomastat analogues featuring an isobutylidene group or a 2-substituted indole nucleus were synthesized to evaluate their inhibitory activities against gelatinase A and stromelysin-1. Potent MMP-2 inhibition and good selectivity for that enzyme have been observed for compounds 1a, 2 and 22. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00590-0
• 作为产物：
  描述：

  O，O’－二乙基－（2－琥珀酸二乙酯基）膦酸酯 、 异丁醛 在 sodium hydride 作用下， 以 乙醚 为溶剂， 反应 3.0h， 以100%的产率得到2-[2-Methyl-prop-(E)-ylidene]-succinic acid diethyl ester
  参考文献：
  名称：

  MMPs inhibitors: new succinylhydroxamates with selective inhibition of MMP-2 over MMP-3

  摘要：

  Some ilomastat analogues featuring an isobutylidene group or a 2-substituted indole nucleus were synthesized to evaluate their inhibitory activities against gelatinase A and stromelysin-1. Potent MMP-2 inhibition and good selectivity for that enzyme have been observed for compounds 1a, 2 and 22. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00590-0

文献信息

• MMPs inhibitors: new succinylhydroxamates with selective inhibition of MMP-2 over MMP-3
  作者：Valérie Marcq、Catherine Mirand、Martine Decarme、Hervé Emonard、William Hornebeck

  DOI：10.1016/s0960-894x(03)00590-0

  日期：2003.9

  Some ilomastat analogues featuring an isobutylidene group or a 2-substituted indole nucleus were synthesized to evaluate their inhibitory activities against gelatinase A and stromelysin-1. Potent MMP-2 inhibition and good selectivity for that enzyme have been observed for compounds 1a, 2 and 22. (C) 2003 Elsevier Ltd. All rights reserved.