{Phenyl-[3-(4,5,7-trifluoro-benzothiazol-2-yl)-thiopropionyl]-amino}-acetic acid methyl ester | 179179-64-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {Phenyl-[3-(4,5,7-trifluoro-benzothiazol-2-yl)-thiopropionyl]-amino}-acetic acid methyl ester
• CAS: 179179-64-7
• 化学式: C₁₉H₁₅F₃N₂O₂S₂
• 分子量: 424.468
• InChiKey: KQNFOLFYSMJYEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  42.43
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  {Phenyl-[3-(4,5,7-trifluoro-benzothiazol-2-yl)-thiopropionyl]-amino}-acetic acid methyl ester 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成 {Phenyl-[3-(4,5,7-trifluoro-benzothiazol-2-yl)-thiopropionyl]-amino}-acetic acid
  参考文献：
  名称：

  Benzothiazol-2-ylcarboxylic acids with diverse spacers: A novel class of potent, orally active aldose reductase inhibitors

  摘要：

  The benzothiazol-2-ylcarboxylic acids, with diverse spacers between the carboxy group and the benzothiazole ring, were synthesized and evaluated for their ability to inhibit aldose reductase (AR). The phenylacetic acids 6 which have a less complex structure than that of existing AR inhibitors were found to be highly potent, orally active AR inhibitors. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00287-4
• 作为产物：
  描述：

  N-苯基甘氨酸甲酯 在 P₄S₈ 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 生成 {Phenyl-[3-(4,5,7-trifluoro-benzothiazol-2-yl)-thiopropionyl]-amino}-acetic acid methyl ester
  参考文献：
  名称：

  Benzothiazol-2-ylcarboxylic acids with diverse spacers: A novel class of potent, orally active aldose reductase inhibitors

  摘要：

  The benzothiazol-2-ylcarboxylic acids, with diverse spacers between the carboxy group and the benzothiazole ring, were synthesized and evaluated for their ability to inhibit aldose reductase (AR). The phenylacetic acids 6 which have a less complex structure than that of existing AR inhibitors were found to be highly potent, orally active AR inhibitors. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00287-4