4-[5-(2-{ [(2-Amino-acetyl)-methyl-amino]-methyl}-phenyl)-oxazol-2-ylamino]-benzoic acid methyl ester | 463941-46-0

• 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: 4-[5-(2-{ [(2-Amino-acetyl)-methyl-amino]-methyl}-phenyl)-oxazol-2-ylamino]-benzoic acid methyl ester
• 英文别名: Methyl 4-[[5-[2-[[(3-amino-2-oxopropyl)amino]methyl]phenyl]-1,3-oxazol-2-yl]amino]benzoate
• CAS: 463941-46-0
• 化学式: C₂₁H₂₂N₄O₄
• 分子量: 394.43
• InChiKey: CAPQEHYBRKBUAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  120
• 氢给体数：
  3
• 氢受体数：
  8

文献信息

• Compounds derived from an amine nucleus and pharmaceutical compositions comprising same
  申请人：——

  公开号：US20020143176A1

  公开（公告）日：2002-10-03

  Compounds having the formula (I), 1 are effective as inhibitors of IMPDH enzyme and/or serine protease Factor VIIa, wherein B is a monocyclic or bicyclic carbocyclic or heterocyclic ring, D is a monocyclic or bicyclic carbocyclic or heterocyclic ring except when A is a heterocyclic ring, then D is a heterocyclic ring system, R is hydrogen or C 1-4 alkyl, and A, R 1 , R 2 and R 4 are as defined in the specification.

  具有(I)式的化合物作为IMPDH酶和/或丝氨酸蛋白酶因子VIIa的抑制剂具有有效性，其中B是单环或双环碳环或杂环，D是单环或双环碳环或杂环，除非A是杂环，那么D就是杂环系统，R是氢或C1-4烷基，A、R1、R2和R4如规范中定义。
• EP1448187A4
  申请人：——

  公开号：EP1448187A4

  公开（公告）日：2005-05-25
• COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME
  申请人：Bristol-Myers Squibb Company

  公开号：EP1448187A2

  公开（公告）日：2004-08-25
• US6596747B2
  申请人：——

  公开号：US6596747B2

  公开（公告）日：2003-07-22
• [EN] COMPOUNDS DERIVED FROM AN AMINE NUCLEUS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME<br/>[FR] COMPOSES DERIVES D'UN NOYAU D'AMINE NUCLEUS ET COMPOSITIONS PHARMACEUTIQUES RENFERMANT CEUX-CI
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003047512A2

  公开（公告）日：2003-06-12

  Compounds having the formula (I), are effective as inhibitors of IMPDH enzyme and/or serine protease Factor VIIa, wherein B is a monocyclic or bicyclic carbocyclic or heterocyclic ring, D is a monocyclic or bicyclic carbocyclic or heterocyclic ring except when A is a heterocyclic ring, then D is a heterocyclic ring system, R is hydrogen or C1-4alkyl, and A, R1, R2 and R4 are as defined in the specification.