2-(1-乙基-2,4-二羰基-1,4-二氢喹唑啉-3(2H)-基)丁酸酯 | 10312-35-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 2-(1-乙基-2,4-二羰基-1,4-二氢喹唑啉-3(2H)-基)丁酸酯
• 英文名称: 3(2H)-Quinazolinebutanoic acid, 1,4-dihydro-2,4-dioxo-, ethyl ester
• 英文别名: ethyl 4-(2,4-dioxo-1H-quinazolin-3-yl)butanoate
• CAS: 10312-35-3
• 化学式: C₁₄H₁₆N₂O₄
• 分子量: 276.29
• InChiKey: FYMQTQCYVPNEGQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

文献信息

• NITROGENOUS FUSED-RING COMPOUNDS, PROCESS FOR THE PREPARATION OF THE SAME, AND DRUGS
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1026160A1

  公开（公告）日：2000-08-09

  A compound represented by the formula: [wherein ring A represents a homocycle optionally having substituents or a nitrogen-containing heterocycle optionally having substituents; D and E are O or S; one of R1 and R2 represents a group represented by the formula: (wherein Ar1 and Ar2 represent an aromatic group optionally having substituents; Ar1 and Ar2 may form a condensed cyclic group optionally having substituents together with an adjacent carbon atom; ring B represents a nitrogen-containing heterocycle optionally having substituents; X and Y are a bond, O, S(O)p (p is an integer of 0 to 2), NR4 (R4 is H or a lower alkyl group) or a bivalent straight-chained lower hydrocarbon group, which may contain 1 to 3 hetero atoms, optionally having substituents; and R3 represents H, a hydroxy group optionally having substituents or an optionally esterified carboxyl group); and the other is a hydrogen atom, a cyano group or a hydrocarbon group optionally having substituents], or a salt thereof, has an anti-histaminic action, an anti-inflammatory action, eosinophil chemotaxis-inhibiting action, and is useful for preventing or treating asthma, allergic conjunctivitis, allergic rhinitis, urticaria, atopic dermatitis and so on.

  式所代表的化合物： [其中环 A 代表任选具有取代基的均环或任选具有取代基的含氮杂环；D 和 E 为 O 或 S；R1 和 R2 中的一个代表由式表示的基团： (其中 Ar1 和 Ar2 代表可选择具有取代基的芳香族基团；Ar1 和 Ar2 可与相邻碳原子一起形成可选择具有取代基的缩合环基；环 B 代表可选择具有取代基的含氮杂环；X 和 Y 是键、O、S(O)p(p 是 0 至 2 的整数)、NR4(R4 是 H 或低级烷基)或二价直链低级烃基，其中可包含 1 至 3 个杂原子，可选择具有取代基；和 R3 代表 H、可选择具有取代基的羟基或可选择酯化的羧基）；另一个是氢原子、氰基或可选择具有取代基的烃基]，或其盐，具有抗组胺作用、抗炎作用、抑制嗜酸性粒细胞趋化作用，可用于预防或治疗哮喘、过敏性结膜炎、过敏性鼻炎、荨麻疹、特应性皮炎等。
• US6407116B1
  申请人：——

  公开号：US6407116B1

  公开（公告）日：2002-06-18