3-[(2-(3-[Amino(imino)methyl]phenyl)-4-(5-[(2R,6S)-2,6-dimethyltetrahydro-1(2H)-pyridinyl]pentyl)-3-oxo-3,4-dihydro-6-quinoxalinyl)oxy]propanoic acid | 245554-40-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-[(2-(3-[Amino(imino)methyl]phenyl)-4-(5-[(2R,6S)-2,6-dimethyltetrahydro-1(2H)-pyridinyl]pentyl)-3-oxo-3,4-dihydro-6-quinoxalinyl)oxy]propanoic acid
• 英文别名: 3-[2-(3-carbamimidoylphenyl)-4-[5-[(2R,6S)-2,6-dimethylpiperidin-1-yl]pentyl]-3-oxoquinoxalin-6-yl]oxypropanoic acid
• CAS: 245554-40-9
• 化学式: C₃₀H₃₉N₅O₄
• 分子量: 533.671
• InChiKey: MAFVIFJISFTGMP-OYRHEFFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  39
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  7

文献信息

• Novel use of phenylheteroakylamine derivatives
  申请人：——

  公开号：US20030158185A1

  公开（公告）日：2003-08-21

  There is disclosed the use of a compound of formula (I) wherein R 1 , R 2 , X, Y, V, W and Z are as defined in the specification, and pharmaceutically acceptable salts, enantiomers or racemates thereof, in the manufacture of a medicament, for the treatment or prophylaxis of diseases or conditions in which inhibition of nitric oxide synthase activity is beneficial. Certain novel compounds of formula (Ia) and pharmaceutically acceptable salts thereof, and enantiomers and racemates thereof are disclosed; together with processes for their preparation, compositions containing them and their use in therapy. The compounds of formulae (I) and (Ia) are inhibitors of the enzyme nitric oxide synthase and are thereby particularly useful in the treatment or prophylaxis of inflammatory disease.

  公开了使用式（I）的化合物，其中R1、R2、X、Y、V、W和Z如规范中定义，并且其药学上可接受的盐、对映体或消旋体，在制备药物时用于治疗或预防抑制一氧化氮合酶活性有益的疾病或症状。公开了式（Ia）的某些新化合物及其药学上可接受的盐，以及其对映体和消旋体；以及它们的制备方法、含有它们的组合物以及它们在治疗中的应用。式（I）和（Ia）的化合物是一氧化氮合酶酶的抑制剂，因此在治疗或预防炎症性疾病方面特别有用。
• Quinoxalinones as serine protease inhibitors
  申请人：——

  公开号：US20020086866A1

  公开（公告）日：2002-07-04

  This invention discloses quinoxalinones which display inhibitory effects on serine proteases such as factor Xa, thrombin, and/or factor VIIa. The invention also discloses pharmaceutically acceptable salts and prodrugs of the compounds, pharmaceutically acceptable compositions comprising the compounds, their salts or prodrugs, and methods of using them as therapeutic agents for treating or preventing disease states in mammals characterized by abnormal thrombosis.

  这项发明公开了对丝氨酸蛋白酶（如Xa因子、凝血酶和/或VIIa因子）具有抑制作用的喹诺酮。该发明还公开了该化合物的药物可接受的盐和前药、包含该化合物、其盐或前药的药物可接受的组合物，以及将其作为治疗剂用于治疗或预防哺乳动物的疾病状态，这些状态以异常血栓形成为特征的方法。
• NOVEL USE OF PHENYLHETEROALKYLAMINE DERIVATIVES
  申请人：AstraZeneca AB

  公开号：EP1263711A1

  公开（公告）日：2002-12-11
• US6410536B1
  申请人：——

  公开号：US6410536B1

  公开（公告）日：2002-06-25
• US6916805B2
  申请人：——

  公开号：US6916805B2

  公开（公告）日：2005-07-12