methyl 3-[4-[2-[4-(diethylamino)phenyl]-5-[4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]phenyl]-1H-imidazol-4-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate

• 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: methyl 3-[4-[2-[4-(diethylamino)phenyl]-5-[4-[(E)-3-oxo-3-(3-phenylpropylamino)prop-1-enyl]phenyl]-1H-imidazol-4-yl]phenyl]-4,5-dihydro-1,2-oxazole-5-carboxylate
• 化学式: C₄₂H₄₃N₅O₄
• 分子量: 681.8
• InChiKey: NOSFBZUBHISSSJ-CVKSISIWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.7
• 重原子数：
  51
• 可旋转键数：
  15
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• [EN] 5-MEMBERED HETEROCYCLES FOR THE TREATMENT OF HUMAN DISEASES INVOLVING MODULATORS OF SELECTINS<br/>[FR] HETEROCYCLES A 5 CHAINONS POUR LE TRAITEMENT DE MALADIES HUMAINES DANS LESQUELLES INTERVIENNENT DES MODULATEURS DE SELECTINES
  申请人：ONTOGEN CORP

  公开号：WO2000033836A1

  公开（公告）日：2000-06-15

  Compounds of formulas (1), (2) and (3) are disclosed, where at least one and no more than two of R?1, R2, R3, R4 or R5¿ are as defined in Group 1. In said formulas R1 is typically a moiety containing a terminal carboxylic acid group such as phenoxy acetic acid, R2 is typically a hydrophobic moiety such as functionalized alkyl chain or a functionalized aryl group, and R3 is typically a functionalized aryl group, and they are within the scope of this invention. These compounds exhibit inhibitory activity against the Selectins and are indicated in the treatment of human diseases involving Selectins.