3-(2-{4-[(4,5-Dihydro-1H-imidazol-2-ylamino)methyl]phenoxy}-4-pyrimidinyl)-3-(4-fluorophenyl)propanoic acid

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(2-{4-[(4,5-Dihydro-1H-imidazol-2-ylamino)methyl]phenoxy}-4-pyrimidinyl)-3-(4-fluorophenyl)propanoic acid
• 英文别名: 3-[2-[4-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]phenoxy]pyrimidin-4-yl]-3-(4-fluorophenyl)propanoic acid
• 化学式: C₂₃H₂₂FN₅O₃
• 分子量: 435.458
• InChiKey: PVJXKEKEWWJIIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  109
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS
  申请人：CELLTECH THERAPEUTICS LIMITED

  公开号：EP1133488A1

  公开（公告）日：2001-09-19
• US6319922B1
  申请人：——

  公开号：US6319922B1

  公开（公告）日：2001-11-20
• [EN] PROPANOIC ACID DERIVATIVES AS INTEGRIN INHIBITORS<br/>[FR] DERIVES D'ACIDE PROPANOIQUE UTILISES EN TANT QU'INHIBITEURS DES INTEGRINES
  申请人：CELLTECH THERAPEUTICS LTD

  公开号：WO2000031067A1

  公开（公告）日：2000-06-02

  Propanoic acid derivatives of formula (1) are described: Ar-X1-Ar1-Z-R in which Ar is a nitrogen base containing group; X1 is linker atom or group; Ar1 is an optionally substituted 5- or 6-membered nitrogen-containing aromatic or non-aromatic monocycle; Z is a group -CH(R13)CH2- [in which R13 is an optionally substituted aliphatic, cycloaliphatic, heteroaliphatic, heterocycloaliphatic, aromatic or heteroaromatic group], -C(R?12a)(R13)-CH(R12b¿)- [in which R?12a and R12b¿ together with the carbon atoms to which they are attached form a C¿3-7?cycloalkyl group] or C(R?13¿)=CH-; R is a carboxylic acid (-CO¿2?H) or a derivative or biostere thereof; and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of αV integrins to their ligands and are of use in the prophylaxis and treatment of immune or inflammatory disorders.