5-(17-Cyano-13-methyl-8,8,11-trioxo-2-oxa-8-thia-9,12-diaza-tricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaen-13-yl)-1-methyl-1H-imidazol-1-ium 2,2,2-trifluoro-acetate | 350791-79-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-(17-Cyano-13-methyl-8,8,11-trioxo-2-oxa-8-thia-9,12-diaza-tricyclo[12.3.1.13,7]nonadeca-1(17),3,5,7(19),14(18),15-hexaen-13-yl)-1-methyl-1H-imidazol-1-ium 2,2,2-trifluoro-acetate
• 英文别名: 13-methyl-13-(1-methyl-1H-imidazol-1-ium-5-yl)-8,8,11-trioxo-2-oxa-8lambda6-thia-9,12-diazatricyclo[12.3.1.13,7]nonadeca-1(17),3(19),4,6,14(18),15-hexaene-17-carbonitrile;2,2,2-trifluoroacetate；13-methyl-13-(1-methyl-1H-imidazol-1-ium-5-yl)-8,8,11-trioxo-2-oxa-8λ6-thia-9,12-diazatricyclo[12.3.1.13,7]nonadeca-1(17),3(19),4,6,14(18),15-hexaene-17-carbonitrile;2,2,2-trifluoroacetate
• CAS: 350791-79-6
• 化学式: C₂HF₃O₂*C₂₁H₁₉N₅O₄S
• 分子量: 551.503
• InChiKey: AONFFOJESRIPHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  38
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  12

文献信息

• Inhibitors of prenyl-protein transferase
  申请人：——

  公开号：US20020049217A1

  公开（公告）日：2002-04-25

  The present invention is directed to peptidomimetic macrocyclic compounds which inhibit prenyl-protein transferase and the prenylation of the oncogene protein Ras. The invention is further directed to chemotherapeutic compositions containing the compounds of this invention and methods for inhibiting prenyl-protein transferase and the prenylation of the oncogene protein Ras.

  本发明涉及抑制戊二醇-蛋白转移酶和致癌基因蛋白Ras的肽类模拟大环化合物。该发明还涉及含有本发明化合物的化疗组合物以及抑制戊二醇-蛋白转移酶和致癌基因蛋白Ras的方法。
• US6525074B2
  申请人：——

  公开号：US6525074B2

  公开（公告）日：2003-02-25