9-Chloro-2,3,5,11-tetramethyl-1,6-dihydro-pyrido[3,2-b]carbazol-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 9-Chloro-2,3,5,11-tetramethyl-1,6-dihydro-pyrido[3,2-b]carbazol-4-one
• 英文别名: 9-Chloro-2,3,5,11-tetramethyl-1,6-dihydropyrido[3,2-b]carbazol-4-one
• 化学式: C₁₉H₁₇ClN₂O
• 分子量: 324.81
• InChiKey: WTVRDTIRZJVFJR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  44.9
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-甲基乙酰乙酸乙酯 、 amino-3 chloro-6 dimethyl-1,4 9H-carbazole 在 溶剂黄146 作用下， 生成 9-Chloro-2,3,5,11-tetramethyl-1,6-dihydro-pyrido[3,2-b]carbazol-4-one
  参考文献：
  名称：

  In vitro cytotoxicity of carbazole derivatives. V. 9-Halogeno-substituted 5,11-dimethyl-6H-pyrido[3,2-b]carbazoles

  摘要：

  Thirty-seven new 5,11-dimethyl-6H-pyrido[3,2-b]carbazole derivatives have been synthesized. These compounds are structurally related to the 5,11-dimethyl-6H-pyrido[4,3-b]carbazole antitumor drug ellipticine. They bear either a fluorine, a bromine or a chlorine atom on position 9, and are variously substituted on the pyridine ring. Twenty-nine of these compounds (78%) were found active when tested in vitro for their cytotoxic activity in a clonogenic assay using murine leukemia L1210 cell line. Structure-activity relationships are described in detail.

  DOI：

  10.1016/s0223-5234(97)87537-x