tert-butyl 2-[2-allyl-4-[[[5-methyl-2-(3-bromophenyl)oxazol-4-ylmethyl]amino]methyl]phenoxy]-2-methylpropanoate | 866640-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tert-butyl 2-[2-allyl-4-[[[5-methyl-2-(3-bromophenyl)oxazol-4-ylmethyl]amino]methyl]phenoxy]-2-methylpropanoate
• 英文别名: 2-[2-allyl-4-[[[5-methyl-2-(3-bromophenyl)oxazol-4-ylmethyl]amino]methyl]phenoxy]-2-methylpropanoic acid tert-butyl ester；Tert-butyl 2-[4-[[[2-(3-bromophenyl)-5-methyl-1,3-oxazol-4-yl]methylamino]methyl]-2-prop-2-enylphenoxy]-2-methylpropanoate
• CAS: 866640-80-4
• 化学式: C₂₉H₃₅BrN₂O₄
• 分子量: 555.512
• InChiKey: YXDLGGZCCHKFIP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.5
• 重原子数：
  36
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  73.6
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Phenoxyacetic Acid Derivatives and Drug Comprising The Same
  申请人：Kagechika Katsuji

  公开号：US20070208021A1

  公开（公告）日：2007-09-06

  Novel compounds having excellent PPAR α/γ agonist effects and having desirable properties for medicaments are provided. Peroxisome proliferator-activated receptor α/γ agonists of the general formula (I): (wherein Q is an optionally-substituted benzene or pyridine ring; R 1 and R 2 each are an optionally-substituted phenyl group or 5- or 6-membered aromatic heterocyclic group; X Y, and Z are independently C, O, S or N; R 3 to R 9 each are a hydrogen atom, a lower alkyl group, etc.; n is an integer of 0 to 3).

  提供了具有出色的PPAR α/γ激动剂效果和适合于药物的理想特性的新型化合物。一般式(I)的过氧化物增殖物激活受体α/γ激动剂如下：（其中Q是可选取代苯环或吡啶环；R1和R2分别是可选取代苯基或5-或6-成员芳香杂环基；X、Y和Z独立地是C、O、S或N；R3到R9每个是氢原子、低级烷基等；n是0到3的整数）。