2-[1,2,3,4-Tetrahydro-2,2-dimethyl-1-(4-methylbenzoyl)quinolin-6-yl]propionic acid | 87547-54-4

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 2-[1,2,3,4-Tetrahydro-2,2-dimethyl-1-(4-methylbenzoyl)quinolin-6-yl]propionic acid
• 英文别名: 2-[2,2-Dimethyl-1-(4-methylbenzoyl)-3,4-dihydroquinolin-6-yl]propanoic acid
• CAS: 87547-54-4
• 化学式: C₂₂H₂₅NO₃
• 分子量: 351.445
• InChiKey: MJHIQIGUIJQTBX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  57.6
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• New quinolylacetic acid compounds and pharmaceutical compositions containing them
  申请人：NIPPON ZOKI PHARMACEUTICAL CO. LTD.

  公开号：EP0083222A1

  公开（公告）日：1983-07-06

  Novel quinolylacetic acid compounds have the general formula in which R, is a hydrogen atom or an esterifying group, e.g. a lower alkyl group which may optionally be substituted with an aromatic group that is itself optionally substituted, R2 is a hydrogen atom or a lower alkyl group, R3 is a hydrogen or halogen atom or an alkyl or alkenyl group, each of R4 and R5, which are the same as or different from one another, is a hydrogen atom or a lower alkyl group, or R4 and R5 are joined to form a ring with the carbon atom they are both attached to, R6 is a hydrogen atom or an alkyl, alkenyl, alkynyl, aralkyl or acyl group which may optionally be substituted and A is a hydrogen atom or an oxo group, the broken line representing optional unsaturation when A is a hydrogen atom or are pharmaceutically acceptable salts of such compounds. Such compounds and salts have antipyretic, analgesic and antiinflammantory actions and are less toxic than known drugs having similar uses. They are made up with pharmaceutical compositions for administration to patients.

  新型喹啉乙酸化合物的通式为 其中 R 是氢原子或酯化基团，例如R2 是氢原子或低级烷基，R3 是氢原子或卤素原子或烷基或烯基，R4 和 R5（彼此相同或不同）各自是氢原子或低级烷基、R6是氢原子或烷基、烯基、炔基、芳基或酰基，可任选被取代，A是氢原子或氧代基团，当A是氢原子时，断线代表任选的不饱和度，或者是此类化合物的药学上可接受的盐。 此类化合物和盐具有解热、镇痛和消炎作用，毒性低于具有类似用途的已知药物。这些化合物和盐可制成药剂组合物，供患者使用。
• US4555513A
  申请人：——

  公开号：US4555513A

  公开（公告）日：1985-11-26