methyl O-(3-bromopropyl)-N-(2,6-dichlorobenzoyl)-L-tyrosinate | 959991-13-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl O-(3-bromopropyl)-N-(2,6-dichlorobenzoyl)-L-tyrosinate
• 英文别名: methyl (2S)-3-[4-(3-bromopropoxy)phenyl]-2-[(2,6-dichlorobenzoyl)amino]propanoate
• CAS: 959991-13-0
• 化学式: C₂₀H₂₀BrCl₂NO₄
• 分子量: 489.193
• InChiKey: KGZXMJMAMOKWNW-KRWDZBQOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  28
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl O-(3-bromopropyl)-N-(2,6-dichlorobenzoyl)-L-tyrosinate 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.5h， 以37%的产率得到methyl O-{3-[(tert-butoxycarbonyl)(4-methoxypyridin-2-yl)amino]propyl}-N-[(2,6-dichlorophenyl)carbonyl]-L-tyrosinate
  参考文献：
  名称：

  WO2007/141473

  摘要：

  公开号：

文献信息

• PHENYLALANINE DERIVATIVES
  申请人：Arnould Jean-Claude

  公开号：US20080045521A1

  公开（公告）日：2008-02-21

  The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to a5b1 antagonists that also exhibit appropriate selectivity profile(s) against other integrins.

  本发明涉及抑制a5b1功能的化合物，其制备过程，含有其作为活性成分的制药组合物，以及它们作为药物在温血动物（如人类）中治疗具有明显血管生成或血管成分的疾病，例如固体肿瘤的制药用途。本发明还涉及a5b1拮抗剂，其还表现出对其他整合素的适当选择性特征。
• N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS
  申请人：Astra Zeneca AB

  公开号：EP2049490A1

  公开（公告）日：2009-04-22
• [EN] N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS<br/>[FR] DÉRIVÉS DE PHÉNYLALANINE
  申请人：ASTRAZENECA AB

  公开号：WO2007141473A1

  公开（公告）日：2007-12-13

  [EN] The present invention relates to compounds that inhibit of a5b1 function, processes for their preparation, pharmaceutical compositions containing them as the active ingredient, to their use as medicaments and to their use in the manufacture of medicaments for use in the treatment in warm-blooded animals such as humans of diseases that have a significant angiogenesis or vascular component such as for treatment of solid tumours. The present invention also relates to a5b1 antagonists that also exhibit appropriate selectivity profile(s) against other integrins.
  [FR] La présente invention concerne des composés qui inhibent la fonction de a5b1, des procédés pour leur préparation, des compositions pharmaceutiques contenant ceux-ci en tant qu'ingrédient actif, leur utilisation en tant que médicaments et leur utilisation dans la fabrication de médicaments pour utilisation dans le traitement chez des animaux à sang chaud tels que des humains de maladies qui ont une angiogenèse significative de composant vasculaire tel que pour le traitement de tumeurs solides. La présente invention concerne en outre des antagonistes de a5b1 qui présentent en outre des profil(s) de sélectivité appropriés contre d'autres intégrines.