N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1 methyl-1H-indazole-3-carboxamide hydrochloride | 134615-42-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: N-methyl-N-[(4-methyl-1H-imidazol-5-yl)methyl]-1 methyl-1H-indazole-3-carboxamide hydrochloride
• 英文别名: N,1-dimethyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]indazole-3-carboxamide;hydrochloride
• CAS: 134615-42-2
• 化学式: C₁₅H₁₇N₅O*ClH
• 分子量: 319.794
• InChiKey: STQKUAJYFMVQSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• New substituted 1H-indazole-3-carboxamides
  申请人：DUPHAR INTERNATIONAL RESEARCH B.V

  公开号：EP0410509A1

  公开（公告）日：1991-01-30

  The present invention is concerned with compounds of formula 1: wherein R₁ is straight or branched alkyl having 1-4 C-atoms, halogen or cyano; n has the value 0-1; R₂ is hydrogen, (1-6 C)alkyl, (3-6 C)alkenyl, (3-6 C)alkenyl, (3-6 C)cycloalkyl, (3-6 C)cycloalkyl­(1-4 C)alkyl, phenyl, phenyl-(1-3 C)alkyl, COOR₆, COR₆, CONR₆R₇ or SO₂-R₆, wherein R₆ and R₇ indepen­dently of each other are hydrogen, (1-6 C)alkyl, (3-6 C)cycloalkyl, phenyl or phenyl-(1-4 C)alkyl, wherein the benzene ring is optionally substituted with a methyl group or a halogen atom, with the proviso that R₆ is not hydrogen when R₂ is a group COOR₆ or SO₂R₆; R₃ is hydrogen, straight or branched (1-6 C)alkyl or a phenyl-(1-3 C)alkyl group optionally substituted in the benzene ring; and A is a group of formula 2 or 3 wherein one of the groups R₈, R₉ and R₁₀ is hydrogen, (1-4 C)alkyl, (3-6 C)cycloalkyl, (3-4 C)alkenyl or (3-4 C)alkynyl and the two other groups, independent­ly of each other, are hydrogen or (1-4 C)alkyl, and the pharmacologically acceptable acid addition salts thereof, which are pharmaceutically useful as strong and selective antagonists of "neuronal" 5-hydroxy tryptamine (5-HT) receptors.

  本发明涉及式 1 的化合物： 其中 R₁ 是具有 1-4 个 C 原子的直链或支链烷基、卤素或氰基； n 的值为 0-1； R₂ 是氢、(1-6 C)烷基、(3-6 C)烯基、(3-6 C)炔基、(3-6 C)环烷基、(3-6 C)环烷基（1-4 C）烷基、苯基、苯基-(1-3 C)烷基、COOR₆、COR₆、CONR₆R₇ 或 SO₂-R₆，其中 R₆ 和 R₇ 相互独立地均为氢、(1-6 C)烷基、(3-6 C)环烷基、苯基或苯基-(1-4 C)烷基，其中苯环任选被甲基或卤原子取代，但当 R₂ 是 COOR₆ 或 SO₂R₆ 基团时，R₆ 不是氢； R₃ 是氢、直链或支链(1-6 C)烷基或在苯环上被任选取代的苯基-(1-3 C)烷基；以及 A 是式 2 或 3 的基团 其中基团 R₈、R₉ 和 R₁₀ 之一为氢、(1-4 C)烷基、(3-6 C)环烷基、(3-4 C)烯基或(3-4 C)炔基，另外两个基团相互独立地为氢或(1-4 C)烷基、及其药理上可接受的酸加成盐，它们在药学上可作为 "神经元 "5-羟色胺（5-HT）受体的强效选择性拮抗剂。
• US5037844A
  申请人：——

  公开号：US5037844A

  公开（公告）日：1991-08-06