(5S,7R)-5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-1,2,3,5,6,7-hexahydrotetrazolo[1,5-a]pyrimidine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (5S,7R)-5-(3-bromo-5-fluorophenyl)-7-(3-bromophenyl)-1,2,3,5,6,7-hexahydrotetrazolo[1,5-a]pyrimidine
• 化学式: C₁₆H₁₄Br₂FN₅
• 分子量: 455.1
• InChiKey: BFYZSTVRMNFZDA-LSDHHAIUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  51.7
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• [EN] INHIBITION OF HIF-2α HETERODIMERIZATION WITH HIF1&bgr; (ARNT)<br/>[FR] INHIBITION DE L'HÉTÉRODIMÉRISATION DE HIF-2&Agr; AVEC HIF1&Bgr; (ARNT)
  申请人：UNIV TEXAS

  公开号：WO2014078479A2

  公开（公告）日：2014-05-22

  Provided is a method of inhibiting heterodimerization of HIF-2α to HIF1β (ARNT) comprising binding certain small molecules to the HIF-2α PAS-B domain cavity but not to HIF1α and inhibiting HIF-2α heterodimerization to HIF1β (ARNT) but not inhibiting HIF1α heterodimerization to HIF1β (ARNT). Those certain small molecules are also referenced synonymously as HIF2-HDI and HIF2α heterodimerization inhibitors and also simply as certain small molecules.