3-(4-chlorophenyl)benzo[g]quinazoline-2,4-(1H,3H)-dione | 133378-98-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-(4-chlorophenyl)benzo[g]quinazoline-2,4-(1H,3H)-dione
• 英文别名: 3-(4-chlorophenyl)-1H-benzo[g]quinazoline-2,4-dione
• CAS: 133378-98-0
• 化学式: C₁₈H₁₁ClN₂O₂
• 分子量: 322.751
• InChiKey: GCSGFHQKTKFJFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  N-(4-chlorophenyl)-3-[(4-chlorophenyl)carbamoylamino]naphthalene-2-carboxamide 生成 3-(4-chlorophenyl)benzo[g]quinazoline-2,4-(1H,3H)-dione
  参考文献：
  名称：

  ALY, NAWAL F.;ALEEM, ABD-EL;ABD-EL, ALEEM H.;ELTAMANY, S. H.;ABOU-HADEED,+, EGYPT. J. CHEM., 31,(1988) N, C. 133-140

  摘要：

  DOI：

文献信息

• Design, Synthesis, and Biological Evaluation of Conformationally Constrained Analogues of Naphthol AS-E as Inhibitors of CREB-Mediated Gene Transcription
  作者：Min Jiang、Bingbing X. Li、Fuchun Xie、Frances Delaney、Xiangshu Xiao

  DOI：10.1021/jm300043c

  日期：2012.4.26

  Cyclic AMP response element binding protein (CREB) is often dysregulated in cancer cells and is an attractive cancer drug target. Previously, we described naphthol AS-E (1) as a small molecule inhibitor of CREB-mediated gene transcription. To understand its bioactive conformation, a series of conformationally constrained analogues of 1 were designed and synthesized. Biological evaluation of these analogues suggests that the global energy minimum of 1 is the likely bioactive conformation.
• ALY, NAWAL F.;ALEEM, ABD-EL;ABD-EL, ALEEM H.;ELTAMANY, S. H.;ABOU-HADEED,+, EGYPT. J. CHEM., 31,(1988) N, C. 133-140
  作者：ALY, NAWAL F.、ALEEM, ABD-EL、ABD-EL, ALEEM H.、ELTAMANY, S. H.、ABOU-HADEED,+

  DOI：——

  日期：——