ethyl [[7-propyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetate | 515138-22-4

• 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: ethyl [[7-propyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetate
• 英文别名: Ethyl [[7-propyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetate；ethyl 2-[[3-[2-[2-(2,4-dichlorophenyl)-5-propan-2-yl-1,3-oxazol-4-yl]ethyl]-7-propyl-1,2-benzoxazol-6-yl]oxy]acetate
• CAS: 515138-22-4
• 化学式: C₂₈H₃₀Cl₂N₂O₅
• 分子量: 545.463
• InChiKey: IBUHXKWTGKKYPD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.1
• 重原子数：
  37
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  87.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ethyl [[7-allyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetate 在 palladium 10% on activated carbon 氢气 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以97%的产率得到ethyl [[7-propyl-3-[2-[2-(2,4-dichlorophenyl)-5-isopropyl-4-oxazolyl]ethyl]-1,2-benzisoxazol-6-yl]oxy]acetate
  参考文献：
  名称：

  ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR DELTA

  摘要：

  公开号：

  EP1445258B1

文献信息

• Activator of peroxisome proliferator-activated receptor delta
  申请人：Sakuma Shogo

  公开号：US20070027196A1

  公开（公告）日：2007-02-01

  A compound represented by the formula (I) or a salt of the compound, and a PPAR-δ activator which contains the compound or salt as the active ingredient: (wherein A represents O or S; B 1 represents N, etc.; B 2 represents O, etc.; each of X 1 and X 2 represents O, S, a bond, etc.; Y represents C 1-8 alkylene chain; z represents O or S; R 1 represents aryl, etc. which can have substituents; R 2 represents C 1-8 alkyl, etc.; R 3 represents C 1-8 alkyl, C 2-8 alkenyl, etc.; each of R 4 and R 5 represents hydrogen, C 1-8 alkyl, etc.; and R 6 represents hydrogen, etc.; provided that each of Z and R 3 is attached to the benzene ring, and X 2 is not attached to the benzene ring).

  化合物的化学式为(I)或该化合物的盐，以及含有该化合物或盐为活性成分的PPAR-δ激动剂：（其中A代表O或S；B1代表N等；B2代表O等；X1和X2分别代表O、S、键等；Y代表C1-8烷基链；z代表O或S；R1代表苯基等，可以有取代基；R2代表C1-8烷基等；R3代表C1-8烷基、C2-8烯基等；R4和R5分别代表氢、C1-8烷基等；R6代表氢等；但要求Z和R3均连接到苯环上，且X2未连接到苯环上）。
• Activator of peroxisome proliferator-activated receptor δ
  申请人：Nippon Chemiphar Co., Ltd

  公开号：US07402597B2

  公开（公告）日：2008-07-22

  A compound represented by the formula (I) or a salt of the compound, and a PPAR-δ activator which contains the compound or salt as the active ingredient: (wherein A represents O or S; B1 represents N, etc.; B2 represents O, etc.; each of X1 and X2 represents O, S, a bond, etc.; Y represents C1-8 alkylene chain; z represents O or S; R1 represents aryl, etc. which can have substituents; R2 represents C1-8 alkyl, etc.; R3 represents C1-8 alkyl, C2-8 alkenyl, etc.; each of R4 and R5 represents hydrogen, C1-8 alkyl, etc.; and R6 represents hydrogen, etc.; provided that each of Z and R3 is attached to the benzene ring, and X2 is not attached to the benzene ring).

  化合物的化学式为(I)，或其盐，以及含有该化合物或盐作为活性成分的PPAR-δ激动剂：（其中A代表O或S；B1代表N等；B2代表O等；X1和X2各自代表O，S，键等；Y代表C1-8烷基链；z代表O或S；R1代表芳基等，可以有取代基；R2代表C1-8烷基等；R3代表C1-8烷基，C2-8烯基等；R4和R5各自代表氢，C1-8烷基等；R6代表氢等；前提是Z和R3各自连接到苯环上，X2未连接到苯环上）。