methanesulfonic acid 4-bromo-3-(4-{[1-(4-cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-2-oxo-piperazin-1-ylmethyl)-phenyl ester | 350604-67-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: methanesulfonic acid 4-bromo-3-(4-{[1-(4-cyano-3-fluoro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethylcarbamoyl]-methyl}-2-oxo-piperazin-1-ylmethyl)-phenyl ester
• 英文别名: [4-Bromo-3-[[4-[2-[[1-(4-cyano-3-fluorophenyl)-1-(3-methylimidazol-4-yl)ethyl]amino]-2-oxoethyl]-2-oxopiperazin-1-yl]methyl]phenyl] methanesulfonate
• CAS: 350604-67-0
• 化学式: C₂₇H₂₈BrFN₆O₅S
• 分子量: 647.525
• InChiKey: YRISPYBIINSLMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  41
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  146
• 氢给体数：
  1
• 氢受体数：
  9

文献信息

• US6413964B1
  申请人：——

  公开号：US6413964B1

  公开（公告）日：2002-07-02
• [EN] INHIBITORS OF PRENYL-PROTEIN TRANSFERASE<br/>[FR] INHIBITEURS DE LA PRENYL-PROTEINE TRANSFERASE
  申请人：MERCK & CO INC

  公开号：WO2001051125A1

  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.