2-methylisoindole-1,3-dion-5-yl 3-(pyridin-4-yl) propionate | 1242154-17-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 2-methylisoindole-1,3-dion-5-yl 3-(pyridin-4-yl) propionate
• 英文别名: (2-Methyl-1,3-dioxoisoindol-5-yl) 3-pyridin-4-ylpropanoate
• CAS: 1242154-17-1
• 化学式: C₁₇H₁₄N₂O₄
• 分子量: 310.309
• InChiKey: QEIATYODDLMAAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  76.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-methylisoindole-1,3-dion-5-yl (E)-3-(pyridin-4-yl) acrylate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 反应 6.0h， 以68%的产率得到2-methylisoindole-1,3-dion-5-yl 3-(pyridin-4-yl) propionate
  参考文献：
  名称：

  Development of tryptase inhibitors derived from thalidomide

  摘要：

  A novel series of tryptase inhibitors with a N-phenylphthalimide skeleton structurally derived from thalidomide (1) has been developed. Structure-activity relationship studies led to a potent and selective tryptase inhibitor, 2-(4-cyanophenyl) isoindole-1,3-dione-5-yl 3-(2-aminopyridin-5-yl) propanoate (7), with the IC50 value of 78 nM. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.037

文献信息

• Development of tryptase inhibitors derived from thalidomide
  作者：Masashi Tetsuhashi、Minoru Ishikawa、Mariko Hashimoto、Yuichi Hashimoto、Hiroshi Aoyama

  DOI：10.1016/j.bmc.2010.05.037

  日期：2010.7

  A novel series of tryptase inhibitors with a N-phenylphthalimide skeleton structurally derived from thalidomide (1) has been developed. Structure-activity relationship studies led to a potent and selective tryptase inhibitor, 2-(4-cyanophenyl) isoindole-1,3-dione-5-yl 3-(2-aminopyridin-5-yl) propanoate (7), with the IC50 value of 78 nM. (C) 2010 Elsevier Ltd. All rights reserved.