1-Benzyl-2-methyl-1,6,7,8-tetrahydro-cyclopenta[g]indol-4-ol | 1027036-57-2

• 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: 1-Benzyl-2-methyl-1,6,7,8-tetrahydro-cyclopenta[g]indol-4-ol
• 英文别名: 1-benzyl-2-methyl-7,8-dihydro-6H-cyclopenta[g]indol-4-ol
• CAS: 1027036-57-2
• 化学式: C₁₉H₁₉NO
• 分子量: 277.366
• InChiKey: MHQMZKKCONYIQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  25.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-Benzyl-2-methyl-1,6,7,8-tetrahydro-cyclopenta[g]indol-4-ol 在 caesium carbonate 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 (1-Benzyl-3-chlorooxalyl-2-methyl-1,6,7,8-tetrahydro-cyclopenta[g]indol-4-yloxy)-acetic acid methyl ester
  参考文献：
  名称：

  Carbocyclic[g]indole Inhibitors of Human Nonpancreatic s-PLA₂

  摘要：

  A vinyl azide cyclization method was used to synthesize three different carbocyclic[g]indole scaffolds as inhibitors of human nonpancreatic secretory phospholipase A(2). Each scaffold demonstrated potent enzyme activity in a chromogenic assay system, with select examples also demonstrating potent activity in a secondary DOC/PC assay. Compound 11, representative of the cyclopent[g]indole series, gave an IC50 of 10 nM for the inhibition of hnps-PLA(2) in the chromogenic assay.

  DOI：

  10.1021/jm0401309
• 作为产物：
  描述：

  1-benzyl-2-methyl-4-methoxy-1,6,7,8-tetrahydrocyclopent[g]indole 在 三溴化硼 作用下， 以 氯仿 为溶剂， 反应 2.5h， 生成 1-Benzyl-2-methyl-1,6,7,8-tetrahydro-cyclopenta[g]indol-4-ol
  参考文献：
  名称：

  Carbocyclic[g]indole Inhibitors of Human Nonpancreatic s-PLA₂

  摘要：

  A vinyl azide cyclization method was used to synthesize three different carbocyclic[g]indole scaffolds as inhibitors of human nonpancreatic secretory phospholipase A(2). Each scaffold demonstrated potent enzyme activity in a chromogenic assay system, with select examples also demonstrating potent activity in a secondary DOC/PC assay. Compound 11, representative of the cyclopent[g]indole series, gave an IC50 of 10 nM for the inhibition of hnps-PLA(2) in the chromogenic assay.

  DOI：

  10.1021/jm0401309