2-(6-Bromomethyl-quinolin-2-yl)-benzoic acid methyl ester | 167374-83-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2-(6-Bromomethyl-quinolin-2-yl)-benzoic acid methyl ester
• 英文别名: Methyl 2-[6-(bromomethyl)quinolin-2-yl]benzoate
• CAS: 167374-83-6
• 化学式: C₁₈H₁₄BrNO₂
• 分子量: 356.219
• InChiKey: AWAWIPOOHNVXLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(6-Bromomethyl-quinolin-2-yl)-benzoic acid methyl ester 在 叠氮磷酸二苯酯 、 sodium hydride 、 三乙胺 作用下， 生成 2-{6-[(2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl]quinolin-2-yl}aniline
  参考文献：
  名称：

  A novel trifluoromethanesulfonamidophenyl-substituted quinoline derivative, GA 0113: synthesis and pharmacological profiles

  摘要：

  The trifluoromethanesulfonamidophenyl-substituted quineline GA 0113 have been synthesized from o-nitrobenzoyl chloride via a multistep process. GA 0113 displaced specific binding of [I-125]-Sar1, Ile(8)-Ang II to AT(1) receptors in membrane from Sf9 cells. In concious normotensive dogs, GA 0113 inhibited the Ang II-induced presser response with ID50 of 0.032 mg/kg and dose-dependently increased plasma renin activity for 48 h. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00383-9
• 作为产物：
  描述：

  methyl 2-(6-methylquinolin-2-yl)benzoate 在 N-溴代丁二酰亚胺(NBS) 作用下， 生成 2-(6-Bromomethyl-quinolin-2-yl)-benzoic acid methyl ester
  参考文献：
  名称：

  A novel trifluoromethanesulfonamidophenyl-substituted quinoline derivative, GA 0113: synthesis and pharmacological profiles

  摘要：

  The trifluoromethanesulfonamidophenyl-substituted quineline GA 0113 have been synthesized from o-nitrobenzoyl chloride via a multistep process. GA 0113 displaced specific binding of [I-125]-Sar1, Ile(8)-Ang II to AT(1) receptors in membrane from Sf9 cells. In concious normotensive dogs, GA 0113 inhibited the Ang II-induced presser response with ID50 of 0.032 mg/kg and dose-dependently increased plasma renin activity for 48 h. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(01)00383-9