4-Oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-[(oxolan-2-YL)methyl]-N-[3-(piperidin-1-YL)propyl]-3,4-dihydroquinazoline-7-carboxamide

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-Oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3-[(oxolan-2-YL)methyl]-N-[3-(piperidin-1-YL)propyl]-3,4-dihydroquinazoline-7-carboxamide
• 英文别名: 4-oxo-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-N-(3-piperidin-1-ylpropyl)quinazoline-7-carboxamide
• 化学式: C₃₀H₃₆N₄O₄S
• 分子量: 548.7
• InChiKey: FXXJKTXAKMNHCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  39
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  117
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• Pharmaceutical compositions comprising anti-inflammatory quinazolinecarboxamide derivatives
  申请人：Gregor Paul

  公开号：US20070191400A1

  公开（公告）日：2007-08-16

  The present invention provides pharmaceutical compositions comprising quinazolinecarboxamide derivative, and certain novel quinazolinecarboxamide derivatives capable of inhibiting heparan sulfate-glycosaminoglycan (HS-GAGs) interactions with L-selectin, and useful in the prevention or treatment of various diseases, disorders and conditions mediated by HS-GAGs, particularly inflammatory and autoimmune diseases, viral diseases, cancer, and amyloid disorders.

  本发明提供了含有喹唑啉羧酰胺衍生物的制药组合物，并且提供了某些新型喹唑啉羧酰胺衍生物，它们能够抑制肝素硫酸基聚糖（HS-GAGs）与L-选择素的相互作用，并且可用于预防或治疗由HS-GAGs介导的各种疾病、疾病和病况，特别是炎症性和自身免疫性疾病、病毒性疾病、癌症和淀粉样疾病。
• PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-INFLAMMATORY QUINAZOLINECARBOXAMIDE DERIVATIVES
  申请人：Rimonyx Pharmaceuticals Ltd.

  公开号：EP1740176A2

  公开（公告）日：2007-01-10
• [EN] PHARMACEUTICAL COMPOSITIONS COMPRISING ANTI-INFLAMMATORY QUINAZOLINECARBOXAMIDE DERIVATIVES<br/>[FR] COMPOSITIONS PHARMACEUTIQUES COMPRENANT DES DERIVES DE QUINAZOLINECARBOXAMIDE ANTI-INFLAMMATOIRES
  申请人：RIMONYX PHARMACEUTICALS LTD

  公开号：WO2005089068A2

  公开（公告）日：2005-09-29

  The present invention provides pharmaceutical compositions comprising quinazolinecarboxamide derivative, and certain novel quinazolinecarboxamide derivatives capable of inhibiting heparan sulfate-glycosaminoglycan (HS-GAGs) interactions with L-selectin, and useful in the prevention or treatment of various diseases, disorders and conditions mediated by HS-GAGs, particularly inflammatory and autoimmune diseases, viral diseases, cancer, and amyloid disorders.