6-[4-[(cyanomethyl)thio]acetylamino]phenyl-1,2-dihydro-2-oxonicotinic acid imidazolide | 82119-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 6-[4-[(cyanomethyl)thio]acetylamino]phenyl-1,2-dihydro-2-oxonicotinic acid imidazolide
• 英文别名: 2-(cyanomethylsulfanyl)-N-[4-[5-(imidazole-1-carbonyl)-6-oxo-1H-pyridin-2-yl]phenyl]acetamide
• CAS: 82119-64-0
• 化学式: C₁₉H₁₅N₅O₃S
• 分子量: 393.426
• InChiKey: GNBCMEGHFLRUQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  142
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Therapeutically active derivatives of phenylethanol amines
  申请人：Aktiebolaget Draco

  公开号：EP0046144A1

  公开（公告）日：1982-02-17

  New bronchospasmolytically active compounds exhibiting long duration of action and reduced undesired side effects, of the structural formula and therapeutically acceptable salts thereof, in which formula R, R1 and R2 are as follows: R is selected from the group consisting of -C(CH3)3, R1 is selected from the group consisting of H and R2; R2 is selected from the group consisting of (a) (b) and (c) in which formulas R3 is selected from the group consisting of (a) H; wherein R5 is a straight or branched alkyl group containing 1-4 carbon atoms; and (c) R4 is selected from the group consisting of (a) H (b) an alkyl group containing 1-3 carbon atoms, process for the preparation thereof, chemical intermediates at their preparation, pharmaceutical compositions containing them and their medicinal use.

  结构式为 R、R1 和 R2 的新型支气管痉挛溶解活性化合物及其治疗上可接受的盐类。 及其治疗上可接受的盐类，其中式 R、R1 和 R2 如下：R选自由-C(CH3)3组成的组、 R1 选自 H 和 R2 组成的组； R2 选自 (a) (b) 和 (c) 在这些式子中，R3 选自以下组成的组 (a) H 其中 R5 是含有 1-4 个碳原子的直链或支链烷基；和 (c) R4 选自 (a) H (b) 含 1-3 个碳原子的烷基组成的组、其制备工艺、制备它们的化学中间体、含有它们的药物组合物及其药用。