18-cyano-14-(cyclopropylacetyl)-14-(1-methyl-1H-imidazol-1-ium-5-yl)-12-oxo-2-oxa-8-thia-9,13-diazatricyclo[13.3.1.13,7]icosa-1(19),3(20),4,6,15,17-hexaene 8,8-dioxide 2,2,2-trifluoroacetate | 350791-88-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 18-cyano-14-(cyclopropylacetyl)-14-(1-methyl-1H-imidazol-1-ium-5-yl)-12-oxo-2-oxa-8-thia-9,13-diazatricyclo[13.3.1.13,7]icosa-1(19),3(20),4,6,15,17-hexaene 8,8-dioxide 2,2,2-trifluoroacetate
• 英文别名: 14-(2-cyclopropylacetyl)-14-(1-methyl-1H-imidazol-1-ium-5-yl)-8,8,12-trioxo-2-oxa-8lambda6-thia-9,13-diazatricyclo[13.3.1.13,7]icosa-1(18),3(20),4,6,15(19),16-hexaene-18-carbonitrile;2,2,2-trifluoroacetate；14-(2-cyclopropylacetyl)-14-(1-methyl-1H-imidazol-1-ium-5-yl)-8,8,12-trioxo-2-oxa-8λ6-thia-9,13-diazatricyclo[13.3.1.13,7]icosa-1(18),3(20),4,6,15(19),16-hexaene-18-carbonitrile;2,2,2-trifluoroacetate
• CAS: 350791-88-7
• 化学式: C₂HF₃O₂*C₂₆H₂₅N₅O₅S
• 分子量: 633.605
• InChiKey: FCPXETSQOHMTDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  44
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  191
• 氢给体数：
  3
• 氢受体数：
  13

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
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE LA PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2001051126A1

  公开（公告）日：2001-07-19

  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.