(2S)-(-)-2-(2-aminoethoxy)-3-[1-(4-tert-butylphenyl)-1H-imidazol-4-yl]propionic acid | 781611-73-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (2S)-(-)-2-(2-aminoethoxy)-3-[1-(4-tert-butylphenyl)-1H-imidazol-4-yl]propionic acid
• 英文别名: (S)-2-(2-aminoethoxy)-3-(1-(4-tert-butylphenyl)-1H-imidazol-4-yl)propanoic acid；(2S)-2-(2-aminoethoxy)-3-[1-(4-tert-butylphenyl)imidazol-4-yl]propanoic acid
• CAS: 781611-73-2
• 化学式: C₁₈H₂₅N₃O₃
• 分子量: 331.415
• InChiKey: JVLMBIHTJZKJHM-INIZCTEOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  24
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  90.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  在 盐酸 、 水 作用下， 生成 (2S)-(-)-2-(2-aminoethoxy)-3-[1-(4-tert-butylphenyl)-1H-imidazol-4-yl]propionic acid
  参考文献：
  名称：

  Oxygenated analogues of UK-396082 as inhibitors of activated thrombin activatable fibrinolysis inhibitor

  摘要：

  A suitable inhibitor of activated thrombin activatable. brinolysis inhibitor (TAFIa) has the potential to be a novel treatment for thrombosis. The TAFIa inhibitor UK-396082 (1) was used as a starting point to seek more potent analogues. With knowledge of encouraging human pharmacokinetics and toleration for the clinical candidate (1), the programme continued to seek structure-activity relationships (SAR) that could positively impact on both potency and half-life, and therefore the projected dose of any future nominated clinical agent. A series of oxygenated analogues based on compound 1 were prepared to evaluate changes in pharmacology, selectivity and pharmacokinetics. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.11.029

文献信息

• [EN] 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIC ACIDS AS TAFIA INHIBITORS<br/>[FR] ACIDES 3-(IMIDAZOLYL)-2-ALKOXYPROPANOIQUES SERVANT D'INHIBITEURS TAFIA
  申请人：PFIZER LTD

  公开号：WO2003061652A1

  公开（公告）日：2003-07-31

  Compounds according to formula (I) wherein n is 0-3, R1 is optionally substituted C1-6 alkyl, C2-6 alkenyl, or C2-6 alkynyl, Heterocycle, Aromatic heterocycle, Aryl or hydrogen and R2, R3, R4, R5, R6, R7, R8 and R9 are each independently selected from hydrogen and optionally substituted C 1-6 alkyl, or R5 and R8 are an alkylene chain, are novel. They are useful in the treatment of thrombotic conditions and other pathologies associated with fibrin deposition.