1-(4-Bromo-2-fluorophenyl)methyl-6-chloro-1,4-dihydro-2-oxo-4-thioxo-3(2H)-quinazolineacetic acid | 136148-65-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-(4-Bromo-2-fluorophenyl)methyl-6-chloro-1,4-dihydro-2-oxo-4-thioxo-3(2H)-quinazolineacetic acid
• 英文别名: 2-[1-[(4-Bromo-2-fluorophenyl)methyl]-6-chloro-2-oxo-4-sulfanylidenequinazolin-3-yl]acetic acid
• CAS: 136148-65-7
• 化学式: C₁₇H₁₁BrClFN₂O₃S
• 分子量: 457.707
• InChiKey: HDVOPAVIPRTLIZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  92.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• QUINAZOLINE-3-ALKANOIC ACID DERIVATIVE, SALT THEREOF, AND PRODUCTION THEREOF
  申请人：KYORIN PHARMACEUTICAL CO., LTD.

  公开号：EP0456835A1

  公开（公告）日：1991-11-21

  A quinazoline-3-alkanoic acid derivative of general formula (I), which has both of platelet agglutination inhibition and aldose reductase inhibition activities, salts thereof, process for producing the same, and a medicine containing the same, wherein R represents hydrogen or a protective group of the carboxyl group; R' represents lower alkyl, alkenyl, alkynyl, lower alkoxy, lower alkylthio, halogen, phenyl (which may be substituted with 1 to 3 substituents selected from among lower alkyl, lower alkoxy, halogen, trifluoromethyl, carboxyethylene, and ethoxy-carbonylethylene groups), naphthyl, heterocycle (which may be substituted with 1 to 3 lower alkyl groups), cycloalkyl, or benzoyl (which may be substituted with lower alkyl or halogen); R² and R³ may be the same or different from each other and each represents hydrogen, halogen, lower alkyl, lower alkoxy, optionally substituted aralkyl, nitro, imidazolyl, imidazolylmethyl, or -NR⁴R⁵ wherein R⁴ and R⁵ may be the same or different from each other and each represents hydrogen or lower alkyl, or they are combined with each other to form a 5- or 6-membered heterocycle which may contain other heteroatom(s); X represents carbonyl, thiocarbonyl or methylene (which may be substituted with lower alkyl); A represents lower alkylene or lower alkenylene; and n is an integer of 1 to 3.

  一种同时具有血小板凝集抑制活性和醛糖还原酶抑制活性的通式(I)的喹唑啉-3-烷酸衍生物、其盐类、生产工艺以及含有该衍生物的药物，其中 R 代表氢或羧基的保护基团；R'代表低级烷基、烯基、炔基、低级烷氧基、低级烷硫基、卤素、苯基（可被 1 至 3 个选自低级烷基、低级烷氧基、卤素、三氟甲基、羧基乙烯和乙氧基羰基乙烯基团的取代基取代）、萘基、杂环（可被 1 至 3 个低级烷基取代）、环烷基或苯甲酰基（可被低级烷基或卤素取代）；R² 和 R³ 可以相同或互不相同，各自代表氢、卤素、低级烷基、低级烷氧基、任选取代的芳烷基、硝基、咪唑基、咪唑甲基或 -NR⁴R⁵，其中 R⁴ 和 R⁵ 可以相同或互不相同，各自代表氢或低级烷基，或者它们相互结合形成 5 或 6 元杂环，该杂环可含有其他杂原子；X 代表羰基、硫代羰基或亚甲基（可被低级烷基取代）；A 代表低级亚烷基或低级亚烯基；n 是 1 至 3 的整数。
• US5234928A
  申请人：——

  公开号：US5234928A

  公开（公告）日：1993-08-10