(5-amino-1,3,4-thiadiazole-2-yl)ethanoic acid methyl ester | 181370-69-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (5-amino-1,3,4-thiadiazole-2-yl)ethanoic acid methyl ester
• 英文别名: methyl 2-(5-amino-1,3,4-thiadiazol-2-yl)acetate；(5-Amino-[1,3,4]thiadiazol-2-yl)-acetic acid methyl ester
• CAS: 181370-69-4
• 化学式: C₅H₇N₃O₂S
• mdl: MFCD05240299
• 分子量: 173.195
• InChiKey: MFIQCDDQYZXHLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  106
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  (5-amino-1,3,4-thiadiazole-2-yl)ethanoic acid methyl ester 、 在 N-甲基吗啉 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 生成 (S)-5-Biphenyl-4-yl-4-(5-methoxycarbonylmethyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-2-phenoxymethyl-pentanoic acid methyl ester
  参考文献：
  名称：

  Synthesis and evaluation of 2-(biphenylmethyl)glutaric acid amide derivatives as neutral endopeptidase inhibitors.

  摘要：

  A series of 2-(biphenylmethyl)glutaric acid amide derivatives were synthesized and evaluated for NEP inhibitory activity. The mode of inhibitor-enzyme interactions of the most potent compound 3a, with a thiazolylacetic acid group at the P-2' position, was evaluated by a computer analysis. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/s0960-894x(96)00255-7

文献信息

• Synthesis and evaluation of 2-(biphenylmethyl)glutaric acid amide derivatives as neutral endopeptidase inhibitors.
  作者：Hideyuki Kanno、Ken Osanai、Tatsuya Nishi、Minoru Iino、Shin-ichi Katakura、Taketoshi Furugohri、Yoshifumi Watanabe

  DOI：10.1016/s0960-894x(96)00255-7

  日期：1996.7

  A series of 2-(biphenylmethyl)glutaric acid amide derivatives were synthesized and evaluated for NEP inhibitory activity. The mode of inhibitor-enzyme interactions of the most potent compound 3a, with a thiazolylacetic acid group at the P-2' position, was evaluated by a computer analysis. Copyright (C) 1996 Elsevier Science Ltd