1-Benzoyl-4,7-dichlor-1,2-dihydro-chinolin-carbonsaeure-(2)-nitril | 94502-16-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1-Benzoyl-4,7-dichlor-1,2-dihydro-chinolin-carbonsaeure-(2)-nitril
• 英文别名: 1-benzoyl-4,7-dichloro-1,2-dihydro-quinoline-2-carbonitrile；4,7-dichloro-1-benzoyl-1,2-dihydroquinoline-2-carbonitrile；1-Benzoyl-4,7-dichloro-1,2-dihydroquinoline-2-carbonitrile；1-benzoyl-4,7-dichloro-2H-quinoline-2-carbonitrile
• CAS: 94502-16-6
• 化学式: C₁₇H₁₀Cl₂N₂O
• 分子量: 329.185
• InChiKey: KRVKFLXGPCFEAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  2

文献信息

• 1, 2-Dihydroquinoline derivatives and method for using the same to treat HIV infections
  申请人：Olson Matthew

  公开号：US20050203129A1

  公开（公告）日：2005-09-15

  The present invention is directed to compound of formula (A): wherein R 1 is selected from (a) alkyl, alkenyl, alkynyl, cycloalkyl, aryl, and heteroaryl, or (b) CN and —C(NR 10 R 11 )═N—R 12 , R 2 is selected from the group consisting of alkyl, alkenyl, alkynyl, cycloalkyl, aryl and heteroaryl, R 3 -R 12 are as described within the specification, and A is O, NR 9 or S, or a prodrug, a pharmaceutically acceptable salt or a pharmaceutically active metabolite thereof, provided that R 1 is not alkyl when R 2 is pyridine, provided that at least one of R 3 -R 8 is not H or F when A is O, R 1 is (b) and R 2 is a phenyl ring, a phenyl ring substituted at the para position with halo, —CN, —OCH 3 , —CF 3 or —CO 2 CH 3 , a quinoline or an ethylene substituted with a phenyl ring or a 3,4-methylenedioxyphenyl moiety, provided that R 4 is not methyl when R 3 and R 5 -R 8 are H, A is O, R 1 is (b) and R 2 is 4-chlorophenyl, and provided that R 6 is not Cl when R 3 -R 5 and R 7 -R 8 are H, R 1 is CN and R 2 is phenyl. This invention is also directed to methods of using the same for treating HIV infections, or AIDS, or preventing replication.

  本发明涉及以下化合物（A）的公式： 其中R1从（a）烷基、烯基、炔基、环烷基、芳基和杂环芳基中选择，或者从（b）CN和—C（NR10R11）═N—R12中选择，R2从烷基、烯基、炔基、环烷基、芳基和杂环芳基中选择，R3-R12如规范中所述，A为O、NR9或S，或其前药、药学上可接受的盐或药学活性代谢物，条件是当R2为吡啶时，R1不是烷基，当A为O时，R1为（b）且R2为苯环时，R3-R8中至少有一个不是H或F，R1为（b）且R2为苯环时，R4不是甲基，R3和R5-R8为H，A为O时，R1为（b）且R2为4-氯苯基时，R6不是Cl，R3-R5和R7-R8为H，R1为CN且R2为苯环。本发明还涉及使用该化合物用于治疗HIV感染或艾滋病，或预防复制的方法。
• US7553967B2
  申请人：——

  公开号：US7553967B2

  公开（公告）日：2009-06-30