2-methylisoindole-1,3-dion-5-yl 3-phenylpropionate | 1242154-12-6

• 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-phenylpropionate
• 英文别名: (2-Methyl-1,3-dioxoisoindol-5-yl) 3-phenylpropanoate
• CAS: 1242154-12-6
• 化学式: C₁₈H₁₅NO₄
• 分子量: 309.321
• InChiKey: CQAQJASCORSDFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  63.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-hydroxy-2-methylisoindoline-1,3-dione 、 3-苯基丙酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 以86%的产率得到2-methylisoindole-1,3-dion-5-yl 3-phenylpropionate
  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.