[1-[(4-methoxyphenyl)methyl]spiro[5,6-dihydro-4H-benzotriazole-7,2'-oxirane]-4-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [1-[(4-methoxyphenyl)methyl]spiro[5,6-dihydro-4H-benzotriazole-7,2'-oxirane]-4-yl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
• 化学式: C₂₇H₂₉N₃O₇
• 分子量: 507.5
• InChiKey: MCFJIETVURQJNY-JXMROGBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  37
• 可旋转键数：
  10
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

文献信息

• [EN] NEW SPIROEPOXIDE TETRAHYDROBENZOTRIAZOLES AND THEIR USE AS METAP-II INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS TÉTRAHYDROBENZOTRIAZOLE SPIROÉPOXYDES ET LEUR UTILISATION COMME INHIBITEURS DE METAP-II
  申请人：DEUTSCHES KREBSFORSCH

  公开号：WO2014044399A1

  公开（公告）日：2014-03-27

  The present invention relates to new spiroepoxide tetrahydrobenzotriazole compounds, a method for their production and their use as MetAP-II inhibitors, which are particularly useful as inhibitors of angiogenesis. The compounds are characterized by formula (I) R1 = OC(O)R2 where R2 is alkyl, cycloalkyl, aryl, heteroaryl, or cinnamyl or R1 = OC(0)NHR3 where R3 is alkyl, cycloalkyl, aryl, or heteroaryl or R1 = NHC(0)OR4 where R4 is alkyl or R1 = OH, NH2 R5 = alkyl, cycloalkyl, CH2R6 where R6 is aryl or heteroaryl