4-氨基-6-三甲基甲硅烷基己-5-炔酸 | 111886-96-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 4-氨基-6-三甲基甲硅烷基己-5-炔酸
• 英文名称: 4-amino-6-(trimethylsilyl)-5-hexynoic acid
• 英文别名: 4-Amino-6-(trimethylsilyl)hex-5-ynoic acid；4-amino-6-trimethylsilylhex-5-ynoic acid
• CAS: 111886-96-5
• 化学式: C₉H₁₇NO₂Si
• 分子量: 199.325
• InChiKey: XWZHYXMCIJHKFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  63.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-氨基-6-三甲基甲硅烷基己-5-炔酸 、 三乙胺 、 四氢呋喃 以3%的产率得到
  参考文献：
  名称：

  LUNDKVIST, J. R. MICHAEL;RINGDAHL, BJORN;HACKSELL, ULI, J. MED. CHEM., 32,(1989) N, C. 863-869

  摘要：

  DOI：
• 作为产物：
  描述：

  1-trimethylsilyl-N-benzylidene-3-aminoprop-1-yne 在 盐酸 、 正丁基锂 作用下， 以 四氢呋喃 、 乙醚 、 正己烷 为溶剂， 反应 0.17h， 生成 4-氨基-6-三甲基甲硅烷基己-5-炔酸
  参考文献：
  名称：

  Conformationally restricted analogs of the muscarinic agent N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide

  摘要：

  Conformationally restricted analogues of the selective partial muscarinic agonist N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide (BM 5; 2) were synthesized. The compounds were tested for muscarinic and antimuscarinic activity in the isolated guinea pig ileum and in intact mice. They were found to be moderately potent muscarinic antagonists or weak partial agonists. The new compounds were less potent than 2 in inhibiting (-)-[3H]-N-methylscopolamine binding in the rate cerebral cortex. Thus, structural modifications of 2 in which part of the amide moiety has been connected with the methyl group in the butynyl chain to form a five-membered ring decrease affinity and in most cases abolish efficacy.

  DOI：

  10.1021/jm00124a022

文献信息

• LUNDKVIST, J. R. MICHAEL;RINGDAHL, BJORN;HACKSELL, ULI, J. MED. CHEM., 32,(1989) N, C. 863-869
  作者：LUNDKVIST, J. R. MICHAEL、RINGDAHL, BJORN、HACKSELL, ULI

  DOI：——

  日期：——
• Conformationally restricted analogs of the muscarinic agent N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide
  作者：J. R. Michael Lundkvist、Bjorn Ringdahl、Uli Hacksell

  DOI：10.1021/jm00124a022

  日期：1989.4

  Conformationally restricted analogues of the selective partial muscarinic agonist N-methyl-N-(1-methyl-4-pyrrolidino-2-butynyl)acetamide (BM 5; 2) were synthesized. The compounds were tested for muscarinic and antimuscarinic activity in the isolated guinea pig ileum and in intact mice. They were found to be moderately potent muscarinic antagonists or weak partial agonists. The new compounds were less potent than 2 in inhibiting (-)-[3H]-N-methylscopolamine binding in the rate cerebral cortex. Thus, structural modifications of 2 in which part of the amide moiety has been connected with the methyl group in the butynyl chain to form a five-membered ring decrease affinity and in most cases abolish efficacy.