6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline | 529476-77-5

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 哈马拉生物碱
• 英文名称: 6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
• 英文别名: 6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
• CAS: 529476-77-5
• 化学式: C₁₉H₂₀N₂
• 分子量: 276.381
• InChiKey: MKXIPSOZLXGOFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  27.8
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline 、 3-苯丙酰氯 在 4-二甲氨基吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 6-methyl-1-(4-methylphenyl)-2-(3-phenylpropanoyl)-2,3,4,9-tetrahydro-1H-β-carboline
  参考文献：
  名称：

  Substituted tetrahydro-β-carbolines as potential agents for the treatment of human papillomavirus infection

  摘要：

  The identification and optimization of a series of substituted tetrahydro-beta-carbolines with potent activity against human papillomavirus is described. Structure-activity studies focused on the substitution pattern and chirality of the beta-carboline ring system are discussed. Optimization of these parameters led to compounds with antiviral activities in the low nanomolar range. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.123
• 作为产物：
  描述：

  5-甲基色胺 、 对甲基苯甲醛 在 溶剂黄146 作用下， 生成 6-methyl-1-(4-methylphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline
  参考文献：
  名称：

  Substituted tetrahydro-β-carbolines as potential agents for the treatment of human papillomavirus infection

  摘要：

  The identification and optimization of a series of substituted tetrahydro-beta-carbolines with potent activity against human papillomavirus is described. Structure-activity studies focused on the substitution pattern and chirality of the beta-carboline ring system are discussed. Optimization of these parameters led to compounds with antiviral activities in the low nanomolar range. (c) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.10.123

文献信息

• Substituted tetrahydro-β-carbolines as potential agents for the treatment of human papillomavirus infection
  作者：John F. Miller、Elizabeth M. Turner、Ronald G. Sherrill、Kristjan Gudmundsson、Andrew Spaltenstein、Phiroze Sethna、Kevin W. Brown、Robert Harvey、Karen R. Romines、Pamela Golden

  DOI：10.1016/j.bmcl.2009.10.123

  日期：2010.1

  The identification and optimization of a series of substituted tetrahydro-beta-carbolines with potent activity against human papillomavirus is described. Structure-activity studies focused on the substitution pattern and chirality of the beta-carboline ring system are discussed. Optimization of these parameters led to compounds with antiviral activities in the low nanomolar range. (c) 2009 Elsevier Ltd. All rights reserved.