indoline-2-carboxylic acid N-(4-chlorophenyl)amide | 1226911-04-1

• 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: indoline-2-carboxylic acid N-(4-chlorophenyl)amide
• 英文别名: N-(4-chlorophenyl)-2,3-dihydro-1H-indole-2-carboxamide
• CAS: 1226911-04-1
• 化学式: C₁₅H₁₃ClN₂O
• 分子量: 272.734
• InChiKey: YLDLBQCDENXUMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  41.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  tert-butyl 2-(4-chlorophenylcarbamoyl)indoline-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 indoline-2-carboxylic acid N-(4-chlorophenyl)amide
  参考文献：
  名称：

  Structure–activity relationship of indoline-2-carboxylic acid N-(substituted)phenylamide derivatives

  摘要：

  Chroman derivatives exhibited potent inhibitory activity of NF-kappa B. For SAR, the chroman scaffold was modified with an indoline moiety. A series of indoline-2-carboxylic acid N-(substituted)phenylamide derivatives were synthesized to explore their inhibitory activities of NF-kappa B and they were also evaluated for cytotoxicity against various cancer cell lines. Since intermediates with Boc showed outstanding results, various substituents in place of the Boc group were introduced additionally and these compounds were also evaluated for SAR. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.06.004

文献信息

• Structure–activity relationship of indoline-2-carboxylic acid N-(substituted)phenylamide derivatives
  作者：Jae-Hwan Kwak、Yoseob Kim、Hyunjeong Park、Jae-Yong Jang、Keun Kuk Lee、Wonhui Yi、Jeong-Ah Kwak、Song-Gyu Park、Hwanmook Kim、Kiho Lee、Jong Soon Kang、Sang-Bae Han、Bang Yeon Hwang、Jin Tae Hong、Jae-Kyung Jung、Youngsoo Kim、Jungsook Cho、Heesoon Lee

  DOI：10.1016/j.bmcl.2010.06.004

  日期：2010.8

  Chroman derivatives exhibited potent inhibitory activity of NF-kappa B. For SAR, the chroman scaffold was modified with an indoline moiety. A series of indoline-2-carboxylic acid N-(substituted)phenylamide derivatives were synthesized to explore their inhibitory activities of NF-kappa B and they were also evaluated for cytotoxicity against various cancer cell lines. Since intermediates with Boc showed outstanding results, various substituents in place of the Boc group were introduced additionally and these compounds were also evaluated for SAR. (C) 2010 Elsevier Ltd. All rights reserved.