Isopropyl-carbamic acid 7,8-dichloro-2-isopropylcarbamoyloxymethyl-1-methyl-1H-benzo[g]indol-3-ylmethyl ester

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: Isopropyl-carbamic acid 7,8-dichloro-2-isopropylcarbamoyloxymethyl-1-methyl-1H-benzo[g]indol-3-ylmethyl ester
• 英文别名: [7,8-dichloro-2-(isopropylcarbamoyloxymethyl)-1-methyl-benzo[g]indol-3-yl]methyl N-isopropylcarbamate；[7,8-dichloro-1-methyl-2-(propan-2-ylcarbamoyloxymethyl)benzo[g]indol-3-yl]methyl N-propan-2-ylcarbamate
• 化学式: C₂₃H₂₇Cl₂N₃O₄
• 分子量: 480.391
• InChiKey: BUNVZMNEQBXYOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  81.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  7,8-Dichloro-1-methyl-4,5-dihydro-1H-benzo[g]indole-2,3-dicarboxylic acid dimethyl ester 在 lithium aluminium tetrahydride 、 dibutyltin diacetate 、 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 Isopropyl-carbamic acid 7,8-dichloro-2-isopropylcarbamoyloxymethyl-1-methyl-1H-benzo[g]indol-3-ylmethyl ester
  参考文献：
  名称：

  Synthesis and in vitro anticancer activity evaluation of biscarbamic esters of 2,3-bis (hydroxymethyl)-1-methyl-7- and 7,8 -substituted-benzo[g]indoles

  摘要：

  A series of various bis(hydroxymethyl) carbamate derivatives of 7-mono- and 7,8-disubstituted-1-methyl-benzo[g]indoles was prepared in order to evaluate their cytostatic and cytotoxic activities in vitro. Compounds 2a-h showed significant tumor growth inhibition activity and were more potent than the 4,5-dihydrobenzo[g]indole analogues previously described. Compound 2a was the most active in this series, showing high activity and selectivity for some human cancer cell lines in the National Cancer Institute screen. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(97)00016-5

文献信息

• Synthesis and in vitro anticancer activity evaluation of biscarbamic esters of 2,3-bis (hydroxymethyl)-1-methyl-7- and 7,8 -substituted-benzo[g]indoles
  作者：Gérard A. Pinna、Maria A. Pirisi、Mario Sechi、Giuseppe Paglietti

  DOI：10.1016/s0014-827x(97)00016-5

  日期：1998.2

  A series of various bis(hydroxymethyl) carbamate derivatives of 7-mono- and 7,8-disubstituted-1-methyl-benzo[g]indoles was prepared in order to evaluate their cytostatic and cytotoxic activities in vitro. Compounds 2a-h showed significant tumor growth inhibition activity and were more potent than the 4,5-dihydrobenzo[g]indole analogues previously described. Compound 2a was the most active in this series, showing high activity and selectivity for some human cancer cell lines in the National Cancer Institute screen. (C) 1998 Elsevier Science S.A. All rights reserved.