[1-(2-Iodo-ethyl)-2-methyl-5-oxo-pyrrolidin-2-yl]-acetic acid methyl ester | 727705-45-5

• 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: [1-(2-Iodo-ethyl)-2-methyl-5-oxo-pyrrolidin-2-yl]-acetic acid methyl ester
• 英文别名: methyl 2-[1-(2-iodoethyl)-2-methyl-5-oxopyrrolidin-2-yl]acetate
• CAS: 727705-45-5
• 化学式: C₁₀H₁₆INO₃
• 分子量: 325.146
• InChiKey: HYLPXSLSXBGTCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [1-(2-Iodo-ethyl)-2-methyl-5-oxo-pyrrolidin-2-yl]-acetic acid methyl ester 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 生成 (1R,7aR)-7a-Methyl-5-oxo-hexahydro-pyrrolizine-1-carboxylic acid methyl ester 、 (1S,7aR)-7a-Methyl-5-oxo-hexahydro-pyrrolizine-1-carboxylic acid methyl ester
  参考文献：
  名称：

  Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist

  摘要：

  Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT4 agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC50 of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.021
• 作为产物：
  描述：

  {2-Methyl-5-oxo-1-[2-(toluene-4-sulfonyloxy)-ethyl]-pyrrolidin-2-yl}-acetic acid methyl ester 在 sodium iodide 作用下， 以 丙酮 为溶剂， 生成 [1-(2-Iodo-ethyl)-2-methyl-5-oxo-pyrrolidin-2-yl]-acetic acid methyl ester
  参考文献：
  名称：

  Bridgehead-methyl analog of SC-53116 as a 5-HT4 agonist

  摘要：

  Pyrrolizidine benzamide (+/-)-2, the bridgehead-methyl analog of SC-53116, was prepared and evaluated for 5-HT4 agonism activity in the rat tunica muscularis (TMM) mucosae assay. Compound (+/-)-2 has an EC50 of 449 nM in the TMM assay, as compared to 23 nM for SC-53116, and 66 nM for the racemate of SC-53116. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.04.021