8-(3-Methoxyphenyl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 8-(3-Methoxyphenyl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
• 化学式: C₁₇H₁₄N₄O
• 分子量: 290.32
• InChiKey: MITXRHPXONHTLZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  65.4
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• VARIOLIN DERIVATIVES AND THEIR USE AS ANTITUMOR AGENTS
  申请人：Remuinan Modesto

  公开号：US20090197901A1

  公开（公告）日：2009-08-06

  Variolin derivatives of formula (5) are provided, wherein the substituent groups defined by X 2 , R 1 , R 2 , R 3 , R 6 , R 7 , and R 12 are each independently selected from the group consisting of H, OH, OR′, SH, SR′, SOR′, SO 2 R′, NO 2 , NH 2 , NHR′, N(R′) 2 , NHCOR′, NHSO 2 R′, CN, halogen, ═O, C(═O)H, C(═O)R′, CO 2 H, CO 2 R′, carboxyalkyl, C 1 -C 12 alkyl, C 2 -C 12 alkenyl, C 2 -C 12 alkynyl, substituted or unsubstituted aryl, substituted or unsubstituted aralkyl and substituted or unsubstituted heteroaromatic; wherein each of the R′ groups is independently selected from the group consisting of H, OH, SH, NO 2 , NH 2 , CN, halogen, ═O, C(═O)H, C(═O)CH 3 , CO 2 H, CO 2 CH 3 , C 1 -C 12 alkyl, C 2 -C 12 alkenyl, C 2 -C 12 alkynyl, aryl, aralkyl and heteroaromatic; wherein the pairs of groups of R 1 and R 2 , R 2 and R 3 , R 3 and R 12 , R 12 and R 6 , or R 6 and R 7 may be joined into a carbocyclic or heterocyclic ring system.
• US7495000B2
  申请人：——

  公开号：US7495000B2

  公开（公告）日：2009-02-24
• US7772241B2
  申请人：——

  公开号：US7772241B2

  公开（公告）日：2010-08-10