N-[4-[(5,7-diamino-3-phenylquinoxalin-2-ylamino)methyl]benzoyl]glutamic acid diethyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-[4-[(5,7-diamino-3-phenylquinoxalin-2-ylamino)methyl]benzoyl]glutamic acid diethyl ester
• 英文别名: Diethyl N-[-[(3-phenyl-5,7-diaminoquinoxalin-2-yl)aminomethyl]benzoy l]-L-gluatamate；diethyl 2-[[4-[[(5,7-diamino-3-phenylquinoxalin-2-yl)amino]methyl]benzoyl]amino]pentanedioate
• 化学式: C₃₁H₃₄N₆O₅
• 分子量: 570.648
• InChiKey: WIWJWAREKQVOIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  42
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  172
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-[4-[(5,7-dinitro-3-phenylquinoxalin-2-ylamino)methyl]benzoyl]glutamic acid diethyl ester 在 乙醇 、 palladium 10% on activated carbon 、 肼 作用下， 反应 0.17h， 以78%的产率得到N-[4-[(5,7-diamino-3-phenylquinoxalin-2-ylamino)methyl]benzoyl]glutamic acid diethyl ester
  参考文献：
  名称：

  Synthesis and in vitro antitumor activity of new quinoxaline derivatives

  摘要：

  A series of novel 5,7-diamino-3-phenyl-2-benzylamino, 2-phenoxy, and 2-thiophenyl substituted quinoxalines has been designed, synthesized and evaluated for their in vitro antitumor activity towards cell lines of nine different types of human cancers. Some of these compounds exhibited inhibitory effects on the growth of a wide range of cancer cell lines generally at 10(-6) M, in some cases at 10(-7) M and 10(-8) M concentrations. Within this series the benzylamino quinoxaline derivatives 1b-7b were the most active, whereas compound 2c showed the highest MG_MD value (-5.66). (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.07.025

文献信息

• Synthesis and in vitro antitumor activity of new quinoxaline derivatives
  作者：Paola Corona、Antonio Carta、Mario Loriga、Gabriella Vitale、Giuseppe Paglietti

  DOI：10.1016/j.ejmech.2008.07.025

  日期：2009.4

  A series of novel 5,7-diamino-3-phenyl-2-benzylamino, 2-phenoxy, and 2-thiophenyl substituted quinoxalines has been designed, synthesized and evaluated for their in vitro antitumor activity towards cell lines of nine different types of human cancers. Some of these compounds exhibited inhibitory effects on the growth of a wide range of cancer cell lines generally at 10(-6) M, in some cases at 10(-7) M and 10(-8) M concentrations. Within this series the benzylamino quinoxaline derivatives 1b-7b were the most active, whereas compound 2c showed the highest MG_MD value (-5.66). (C) 2008 Elsevier Masson SAS. All rights reserved.