N-(5-Methoxy-indan-1-yl)-guanidine | 62658-38-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 英文名称: N-(5-Methoxy-indan-1-yl)-guanidine
• 英文别名: 2-(5-methoxy-2,3-dihydro-1H-inden-1-yl)guanidine
• CAS: 62658-38-2
• 化学式: C₁₁H₁₅N₃O
• 分子量: 205.26
• InChiKey: GAUOSQWYVHVVHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  73.6
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  5-methoxy-1-indanone oxime 生成 N-(5-Methoxy-indan-1-yl)-guanidine
  参考文献：
  名称：

  Conformational analogs of antihypertensive agents related to guanethidine

  摘要：

  In an effort to clarify the conformational requirements, if any, of agents producing adrenergic neuronal blockade through mechanisms similar to guanethidine, the synthesis and pharmacological evaluation of 15 analogues of cinnamylguanidine are described. These analogues represent derivatives in which the distance between the center of the ring system and the guanidinium nitrogen atom varies from 3.9 to 6.2 A. While conformational relationships could not be defined in this study, three analogues (3, 4, and 5) were apparently more potent than guanethidine in the in vitro assay employed.

  DOI：

  10.1021/jm00216a007

文献信息

• Conformational analogs of antihypertensive agents related to guanethidine
  作者：R. F. Borne、M. L. Forrester、I. W. Waters

  DOI：10.1021/jm00216a007

  日期：1977.6

  In an effort to clarify the conformational requirements, if any, of agents producing adrenergic neuronal blockade through mechanisms similar to guanethidine, the synthesis and pharmacological evaluation of 15 analogues of cinnamylguanidine are described. These analogues represent derivatives in which the distance between the center of the ring system and the guanidinium nitrogen atom varies from 3.9 to 6.2 A. While conformational relationships could not be defined in this study, three analogues (3, 4, and 5) were apparently more potent than guanethidine in the in vitro assay employed.