4-[2-[[4-(5-Aminopentylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxyethyl]phenol | 1075732-22-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 4-[2-[[4-(5-Aminopentylamino)-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]amino]-1-hydroxyethyl]phenol
• CAS: 1075732-22-7
• 化学式: C₂₂H₂₈FN₇O₂
• 分子量: 441.508
• InChiKey: QHFHOKWFNVMBFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  32
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  141
• 氢给体数：
  6
• 氢受体数：
  10

文献信息

• Triazine Derivatives, Compositions Containing Such Derivatives, and Methods of Treatment of Cancer and Autoimmune Diseases Using Such Derivatives
  申请人：Zacharie Boulos

  公开号：US20100129350A1

  公开（公告）日：2010-05-27

  We describe compounds of the following general formula (I): wherein X is fluorine or chlorine; Y is oxygen, sulfur, or an amino group; R is an amino, hydroxyl, sulfonamide, or carboxamide group or an N-monomethyl or N-dimethyl analog thereof; m is an integer from 2 to 6, and n is an integer from 0 to 2. The compounds may be used for treating certain cancers and autoimmune diseases.
• US8258295B2
  申请人：——

  公开号：US8258295B2

  公开（公告）日：2012-09-04