N-(1-Methyl-5-indolyl)-N'-(3-pyridazinyl) urea | 152239-43-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: N-(1-Methyl-5-indolyl)-N'-(3-pyridazinyl) urea
• 英文别名: 1-(1-Methylindol-5-yl)-3-pyridazin-3-ylurea
• CAS: 152239-43-5
• 化学式: C₁₄H₁₃N₅O
• 分子量: 267.29
• InChiKey: QNZAHELXAMRHNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  71.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  哒嗪-3-胺 、 Phenyl N-(1-Methyl-1H-indol-5-yl) carbamate 以 N,N-二甲基甲酰胺 为溶剂， 生成 N-(1-Methyl-5-indolyl)-N'-(3-pyridazinyl) urea
  参考文献：
  名称：

  Indole derivatives as 5HT.sub.1C antagonists

  摘要：

  化合物的结构式（I）或其盐：##STR1## 其中：P代表喹啉或异喹啉残基；R.sub.1为氢或C.sub.1-6烷基；R.sub.2、R.sub.3、R.sub.10、R.sub.11独立地为氢或C.sub.1-6烷基，或R.sub.10和R.sub.11共同形成键，或R.sub.2和R.sub.10或R.sub.3和R.sub.11共同形成C.sub.2-6烷基链。R.sub.4为氢、C.sub.1-6烷基、卤素、NR.sub.8 R.sub.9、OR.sub.12或COOR.sub.12，其中R.sub.8、R.sub.9和R.sub.12独立地为氢或C.sub.1-6烷基；R.sub.5和R.sub.6独立地为氢或C.sub.1-6烷基；R.sub.7为氢、C.sub.1-6烷基、C.sub.1-6烷氧基或卤素；并且脲基团附着在吲哚啉环的4-、5-或6-位，发现具有5HT.sub.1c受体拮抗活性。

  公开号：

  US05508288A1

文献信息

• US5508288A
  申请人：——

  公开号：US5508288A

  公开（公告）日：1996-04-16
• Indole derivatives as 5HT.sub.1C antagonists
  申请人：SmithKline Beecham, p.l.c.

  公开号：US05508288A1

  公开（公告）日：1996-04-16

  A compound of formula (I) or a salt thereof: ##STR1## Wherein: P represents a quinoline or isoquinoline residue; R.sub.1 is hydrogen or C.sub.1-6 alkyl; R.sub.2, R.sub.3, R.sub.10, R.sub.11 are independently hydrogen R.sub.1 is hydrogen or C.sub.1-6 alkyl; R.sub.2, R.sub.3, R.sub.10, R.sub.11 are independently hydrogen or C.sub.1-6 alkyl, or R.sub.10 and R.sub.11 together form a bond, or R.sub.2 and R.sub.10 or R.sub.3 and R.sub.11 together form a C.sub.2-6 alkylene chain. R.sub.4 is hydrogen, C.sub.1-6 alkyl, halogen, NR.sub.8 R.sub.9, OR.sub.12 or COOR.sub.12, where R.sub.8 R.sub.9 and R.sub.12 are independently hydrogen or C.sub.1-6 alkyl; R.sub.5 and R.sub.6 are independently hydrogen or C.sub.1-6 alkyl; and R.sub.7 is hydrogen, C.sub.1-6 alkyl, C.sub.1-6 alkoxy or halogen; and wherein the urea moiety is attached at the 4-, 5- or 6-position of the indoline ring, which has been found to have 5HT.sub.1c receptor antagonist activity.

  化合物的结构式（I）或其盐：##STR1## 其中：P代表喹啉或异喹啉残基；R.sub.1为氢或C.sub.1-6烷基；R.sub.2、R.sub.3、R.sub.10、R.sub.11独立地为氢或C.sub.1-6烷基，或R.sub.10和R.sub.11共同形成键，或R.sub.2和R.sub.10或R.sub.3和R.sub.11共同形成C.sub.2-6烷基链。R.sub.4为氢、C.sub.1-6烷基、卤素、NR.sub.8 R.sub.9、OR.sub.12或COOR.sub.12，其中R.sub.8、R.sub.9和R.sub.12独立地为氢或C.sub.1-6烷基；R.sub.5和R.sub.6独立地为氢或C.sub.1-6烷基；R.sub.7为氢、C.sub.1-6烷基、C.sub.1-6烷氧基或卤素；并且脲基团附着在吲哚啉环的4-、5-或6-位，发现具有5HT.sub.1c受体拮抗活性。