4-(1-ethyl-2-phenyl-1H-indol-3-yl)-3-cyclohexene-1-carboxylic acid | 93503-59-4

• 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: 4-(1-ethyl-2-phenyl-1H-indol-3-yl)-3-cyclohexene-1-carboxylic acid
• 英文别名: 4-(1-Ethyl-2-phenylindol-3-yl)cyclohex-3-ene-1-carboxylic acid
• CAS: 93503-59-4
• 化学式: C₂₃H₂₃NO₂
• 分子量: 345.441
• InChiKey: NUVRAOKMASVDRS-UHFFFAOYSA-N

物化性质

• 熔点：
  147-150 °C
• 沸点：
  585.5±50.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  42.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-羰基环己羧酸 在 磷酸 、 乙酸酐 、 sodium hydride 、 溶剂黄146 作用下， 反应 77.0h， 生成 4-(1-ethyl-2-phenyl-1H-indol-3-yl)-3-cyclohexene-1-carboxylic acid
  参考文献：
  名称：

  Syntheses and complement inhibitory activities of 4-(2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acids

  摘要：

  The syntheses of 4-(2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acids are described. These compounds express potent in vitro inhibition of the human classical complement pathway, and qualitative SAR have been determined. Several of the in vitro active compounds also suppressed the complement dependent reverse passive Arthus reaction (RPAR) in guinea pigs.

  DOI：

  10.1021/jm00380a002

文献信息

• BAILEY, D. M.;DEGRAZIA, G. D.;ALEXANDER, E. J.;POWLES, R. G.;JOHNSON, R. +, J. MED. CHEM., 1985, 28, N 2, 160-164
  作者：BAILEY, D. M.、DEGRAZIA, G. D.、ALEXANDER, E. J.、POWLES, R. G.、JOHNSON, R. +

  DOI：——

  日期：——
• US4510158A
  申请人：——

  公开号：US4510158A

  公开（公告）日：1985-04-09
• Syntheses and complement inhibitory activities of 4-(2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acids
  作者：Denis M. Bailey、George D. DeGrazia、E. John Alexander、Ronald G. Powles、Robert E. Johnson、Richard A. Patrick、Barbara G. Heerdt、Margo E. Fairbain、Donald J. Pruden

  DOI：10.1021/jm00380a002

  日期：1985.2

  The syntheses of 4-(2-phenyl-1H-indol-3-yl)cyclohexane-1-carboxylic acids are described. These compounds express potent in vitro inhibition of the human classical complement pathway, and qualitative SAR have been determined. Several of the in vitro active compounds also suppressed the complement dependent reverse passive Arthus reaction (RPAR) in guinea pigs.