3-[2-(1-cyclohexen-1-yl)ethyl]-N-[2-(4-morpholinyl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide

• 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-[2-(1-cyclohexen-1-yl)ethyl]-N-[2-(4-morpholinyl)ethyl]-4-oxo-2-thioxo-1,2,3,4-tetrahydro-7-quinazolinecarboxamide
• 英文别名: 3-[2-(cyclohexen-1-yl)ethyl]-N-(2-morpholin-4-ylethyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
• 化学式: C₂₃H₃₀N₄O₃S
• 分子量: 442.6
• InChiKey: YMEVOAOCNUMWQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA
  申请人：Sirga Advanced Biopharma, Inc.

  公开号：US20150190384A1

  公开（公告）日：2015-07-09

  Disclosed herein are compounds, compositions and methods of their use to treat HIV/AIDS disease in a subject in need thereof wherein the compositions comprise small molecule inhibitors that inhibit viral preparation or viral recruitment of human tRNA3Lys.
• US9775835B2
  申请人：——

  公开号：US9775835B2

  公开（公告）日：2017-10-03
• [EN] SMALL MOLECULE INHIBITORS OF VIRAL PROTEIN INTERACTIONS WITH HUMAN T-RNA<br/>[FR] INHIBITEURS À PETITES MOLÉCULES DES INTERACTIONS DES PROTÉINES VIRALES AVEC L'ARNT HUMAIN
  申请人：SIRGA ADVANCED BIOPHARMA INC

  公开号：WO2014025749A2

  公开（公告）日：2014-02-13

  Disclosed herein are compounds, compositions and methods of their use to treat HIV/AIDS disease in a subject in need thereof, wherein the compositions comprise small molecule inhibitors that inhibit viral preparation or viral recruitment of human tRNA3Lys.