3-bromo-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzoic acid | 1163304-56-0

• 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: 3-bromo-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzoic acid
• CAS: 1163304-56-0
• 化学式: C₁₉H₁₄BrNO₃
• 分子量: 384.229
• InChiKey: ZVQMZQZGSWUFOZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-Bromo-4-(4-oxo-1,2,3,4-tetrahydro-carbazol-9-yl)benzonitrile 在 盐酸 、 水 作用下， 以 四氢呋喃 为溶剂， 生成 3-bromo-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzoic acid
  参考文献：
  名称：

  Novel carbazole and acyl-indole antimitotics

  摘要：

  In the course of our Heat Shock 90 program, certain carbazole compounds were identified which had an off-target antiproliferative activity. To understand the off-target activity, we studied one analog with strong activity. We discovered that it had an effect on tubulin polymerization kinetics and was competitive with colchicine. Additional analogs were made, and a number of potent compounds were identified. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.04.010

文献信息

• Novel carbazole and acyl-indole antimitotics
  作者：Thomas E. Barta、Amy F. Barabasz、Briana E. Foley、Lifeng Geng、Steven E. Hall、Gunnar J. Hanson、Matthew Jenks、Wei Ma、John W. Rice、James Veal

  DOI：10.1016/j.bmcl.2009.04.010

  日期：2009.6

  In the course of our Heat Shock 90 program, certain carbazole compounds were identified which had an off-target antiproliferative activity. To understand the off-target activity, we studied one analog with strong activity. We discovered that it had an effect on tubulin polymerization kinetics and was competitive with colchicine. Additional analogs were made, and a number of potent compounds were identified. (C) 2009 Elsevier Ltd. All rights reserved.