6-Chloro-1,2-dihydroxy-5H-dibenzo[cd,f]indol-4-one | 1219915-87-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 马兜铃内酰胺
• 英文名称: 6-Chloro-1,2-dihydroxy-5H-dibenzo[cd,f]indol-4-one
• 英文别名: 8-chloro-14,15-dihydroxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,4,6,8,12,14-heptaen-11-one
• CAS: 1219915-87-3
• 化学式: C₁₅H₈ClNO₃
• 分子量: 285.686
• InChiKey: DVFDPTMMVVWTRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  马兜铃内酰胺-II 在 五氯化磷 作用下， 以 二氯甲烷 为溶剂， 生成 6-Chloro-1,2-dihydroxy-5H-dibenzo[cd,f]indol-4-one
  参考文献：
  名称：

  Semi-synthetic aristolactams—inhibitors of CDK2 enzyme

  摘要：

  Several analogs of aristolochic acids were isolated and derivatized into their lactam derivatives to study their inhibition in CDK2 assay. The study helped to derive some conclusions about the structure-activity relation around the phenanthrin moiety. Semi-synthetic aristolactam 21 showed good activity with inhibition IC(50) of 35 nM in CDK2 assay. The activity of this compound was comparable to some of the most potent synthetic compounds reported in the literature. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.01.007

文献信息

• Semi-synthetic aristolactams—inhibitors of CDK2 enzyme
  作者：Vinod R. Hegde、Scott Borges、Haiyan Pu、Mahesh Patel、Vincent P. Gullo、Bonnie Wu、Paul Kirschmeier、Michael J. Williams、Vincent Madison、Thierry Fischmann、Tze-Ming Chan

  DOI：10.1016/j.bmcl.2010.01.007

  日期：2010.2

  Several analogs of aristolochic acids were isolated and derivatized into their lactam derivatives to study their inhibition in CDK2 assay. The study helped to derive some conclusions about the structure-activity relation around the phenanthrin moiety. Semi-synthetic aristolactam 21 showed good activity with inhibition IC(50) of 35 nM in CDK2 assay. The activity of this compound was comparable to some of the most potent synthetic compounds reported in the literature. (C) 2010 Elsevier Ltd. All rights reserved.