methyl (+/-)-4-{2-{3-{[2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl}benzoylamino}ethyl}benzoate | 262596-48-5

• 分子结构分类: 有机化合物
• 英文名称: methyl (+/-)-4-{2-{3-{[2-(4,5-diphenyloxazol-2-yl)-2-cyclohexen-1-yl]methyl}benzoylamino}ethyl}benzoate
• 英文别名: Methyl 4-[2-[[3-[[2-(4,5-diphenyl-1,3-oxazol-2-yl)cyclohex-2-en-1-yl]methyl]benzoyl]amino]ethyl]benzoate
• CAS: 262596-48-5
• 化学式: C₃₉H₃₆N₂O₄
• 分子量: 596.726
• InChiKey: CYZFKKBJBDNPCN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.2
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS<br/>[FR] COMPOSES D'OXAZOLE CONVENANT COMME AGONISTES OU ANTAGONISTES DE LA PROSTAGLANDINE E2
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2000018744A1

  公开（公告）日：2000-04-06

  Oxazole compounds of formula (I), wherein R1 is aryl which may be substituted with halogen(s), R2 is aryl which may be substituted with halogen(s), X is single bond, (a) or SO¿2?, R?3 and R4¿ are independently hydrogen or suitable substituent, (wherein X is (a), neither R?3 nor R4¿ is hydrogen), R?3 and R4¿ may be linked together to form (b), (b) is N-containing heterocyclic group which may be substituted with one or more suitable substituent(s), R5 is hydrogen, etc., A1 is lower alkylene or single bond, (c) is cyclo(C¿3?-C9)alkane or cyclo(C5-C9)alkene, or a pro-drug thereof, or a pharmaceutically acceptable salt thereof, which are useful as medicament.

  式(I)的噁唑化合物，其中R1是芳基，可以用卤素取代，R2是芳基，可以用卤素取代，X是单键，（a）或SO¿2？，R?3和R4¿分别是氢或合适的取代基，（其中X是（a），R?3和R4¿均不是氢），R?3和R4¿可以连接在一起形成（b），（b）是含氮杂环基团，可以用一种或多种适当的取代基取代，R5是氢等，A1是较低的烷基或单键，（c）是环（C¿3?-C9）烷基或环（C5-C9）烯烃，或其前药或其药学上可接受的盐，可用作药物。
• OXAZOLE COMPOUNDS AS PROSTAGLANDIN E2 AGONISTS OR ANTAGONISTS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP1115712A1

  公开（公告）日：2001-07-18