N-(4,5-二氢-4-甲基-2-氨基磺酰基-1,3,4-噻二唑-5-亚基)-2,4,5-三甲氧基苯甲酰胺 | 55217-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: N-(4,5-二氢-4-甲基-2-氨基磺酰基-1,3,4-噻二唑-5-亚基)-2,4,5-三甲氧基苯甲酰胺
• 英文名称: 4-methyl-5-(2,4,5-trimethoxy-benzoylimino)-4,5-dihydro-[1,3,4]thiadiazole-2-sulfonic acid amide
• 英文别名: 3-Methyl-2-(2,4,5-trimethoxybenzoylimino)-delta(sup 4)-1,3,4-thiadiazoline-5-sulfonamide；2,4,5-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
• CAS: 55217-93-1
• 化学式: C₁₃H₁₆N₄O₆S₂
• 分子量: 388.425
• InChiKey: AEUBTRNFGIKPLA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  167
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  N-(5-benzylsulfanyl-3-methyl-3H-[1,3,4]thiadiazol-2-ylidene)-2,4,5-trimethoxy-benzamide 生成 N-(4,5-二氢-4-甲基-2-氨基磺酰基-1,3,4-噻二唑-5-亚基)-2,4,5-三甲氧基苯甲酰胺
  参考文献：
  名称：

  Substituted thiadiazolines as inhibitors of central nervous system carbonic anhydrase

  摘要：

  A series (24-30) of substituted thiadiazolines was synthesized and tested for in vitro carbonic anhydrase inhibition and for protective ability against pentylenetetrazole-induced convulsions. ED50 (pentylenetetrazole protection), TD50, and LD50 values are reported for each compound. With the exception of 30, all compounds approximated the model compound methazolamide as in vitro carbonic anhydrase inhibitors. Several of the compounds produced extended protection against pentylenetetrazole-induced convulsions. Ring methoxy substitution in the ortho position appeared to produce maximum activity.

  DOI：

  10.1021/jm00238a005