(R)-2-Isobutyl-3-(thiophene-2-carbonyl)-succinic acid dimethyl ester | 573976-80-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (R)-2-Isobutyl-3-(thiophene-2-carbonyl)-succinic acid dimethyl ester
• CAS: 573976-80-4
• 化学式: C₁₅H₂₀O₅S
• 分子量: 312.387
• InChiKey: OTHREHDQIWVEQJ-RWANSRKNSA-N

物化性质

• 沸点：
  416.6±35.0 °C(Predicted)
• 密度：
  1.169±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.56
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-2-Isobutyl-3-(thiophene-2-carbonyl)-succinic acid dimethyl ester 在 lithium hydroxide 作用下， 以 苯 为溶剂， 生成
  参考文献：
  名称：

  Improved gelatinase a selectivity by novel zinc binding groups containing galardin derivatives

  摘要：

  The synthesis of several analogues of galardin, a MMP inhibitor, are presented with their in vitro inhibitory activity against MMP-1 and MMP-2. These compounds contain a distinct Zinc Binding Group (ZBG). Those having a 2-acylated-heterocycle as well as a 2-arylamide function do not exhibit a good inhibition/selectivity against the enzymes tested. On the contrary, those that are based on a hydrazide scaffold present potent selectivity for MMP-2 versus MMP-1. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00214-2
• 作为产物：
  描述：

  2-乙酰基噻吩 在 sodium hydride 作用下， 以 四氢呋喃 为溶剂， 生成 (R)-2-Isobutyl-3-(thiophene-2-carbonyl)-succinic acid dimethyl ester
  参考文献：
  名称：

  Improved gelatinase a selectivity by novel zinc binding groups containing galardin derivatives

  摘要：

  The synthesis of several analogues of galardin, a MMP inhibitor, are presented with their in vitro inhibitory activity against MMP-1 and MMP-2. These compounds contain a distinct Zinc Binding Group (ZBG). Those having a 2-acylated-heterocycle as well as a 2-arylamide function do not exhibit a good inhibition/selectivity against the enzymes tested. On the contrary, those that are based on a hydrazide scaffold present potent selectivity for MMP-2 versus MMP-1. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00214-2