5-amino-3-(4-fluorobenzyl)-8-hydroxyquinoline-7-carboxylic acid methyl ester

• 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: 5-amino-3-(4-fluorobenzyl)-8-hydroxyquinoline-7-carboxylic acid methyl ester
• 英文别名: Methyl 5-amino-3-[(4-fluorophenyl)methyl]-8-hydroxyquinoline-7-carboxylate
• 化学式: C₁₈H₁₅FN₂O₃
• 分子量: 326.327
• InChiKey: PNFIXJXUIUGUTN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  85.4
• 氢给体数：
  2
• 氢受体数：
  6

文献信息

• Heterocyclic compounds having inhibitory activity against hiv integrase
  申请人：Murai Hitoshi

  公开号：US20060128669A1

  公开（公告）日：2006-06-15

  A heterocyclic compound of the formula (I): wherein B 1 is —C(R 2 )═ or —N═; R 1 ′ is H, etc.; one of R 1 and R 2 is -Z 1 -Z 2 -Z 3 -R 5 wherein Z 1 and Z 3 are independently single bond, optionally substituted alkylene, etc.; Z 2 is single bond, optionally substituted alkylene, etc.; R 5 is optionally substituted aryl, optionally substituted heteroaryl, etc., and the other of R 1 and R 2 is H; -A 1 - is —C(—Y)═C(—R A )—C(—R 3 )═C(—R 4 )—, etc. wherein Y is OH, etc.; R A is —COR 7 wherein R 7 is OH, etc.; one of R 3 and R 4 is carboxy, etc., and the other of R 1 and R 2 is H, etc, a prodrug thereof, a pharmaceutically acceptable salt thereof, and a solvate thereof, having an antiviral activity, more particularly, an inhibitory activity against HIV integrase, and a pharmaceutical composition containing the same, especially an anti-HIV drug.

  化合物的公式（I）为杂环化合物，其中B1为—C（R2）═或—N═; R1'为H等; R1和R2中的一个是—Z1-Z2-Z3-R5，其中Z1和Z3分别为单键，可选地取代的烷基等; Z2为单键，可选地取代的烷基等; R5为可选地取代的芳基，可选地取代的杂环芳基等，而R1和R2中的另一个是H; -A1-为—C（—Y）═C（—RA）—C（—R3）═C（—R4）—等，其中Y为OH等; RA为—COR7，其中R7为OH等; R3和R4中的一个是羧基等，而R1和R2中的另一个是H等，其为前药、药学上可接受的盐以及其溶剂化物，具有抗病毒活性，特别是对HIV整合酶的抑制活性，以及含有该化合物的制药组合物，特别是抗HIV药物。
• Heterocyclic compounds having inhibitory activity against HIV integrase
  申请人：Murai Hitoshi

  公开号：US20060247212A1

  公开（公告）日：2006-11-02

  A heterocyclic compound of the formula (I): wherein B 1 is —C(R 2 )═ or —N═; R 1 ′ is H, etc.; one of R 1 and R 2 is -Z 1 -Z 2 -Z 3 -R 5 wherein Z 1 and Z 3 are independently single bond, optionally substituted alkylene, etc.; Z 2 is single bond, optionally substituted alkylene, etc.; R 1 is optionally substituted aryl, optionally substituted heteroaryl, etc., and the other of R 1 and R 2 is H; -A 1 - is —C(—Y)═C(—R A )—C(—R 3 )═C(—R 4 )—, etc. wherein Y is OH, etc.; R A is —COR 7 wherein R 7 is OH, etc.; one of R 3 and R 4 is carboxy, etc., and the other of R 1 and R 2 is H, etc, a prodrug thereof, a pharmaceutically acceptable salt thereof, and a solvate thereof, having an antiviral activity, more particularly, an inhibitory activity against HIV integrase, and a pharmaceutical composition containing the same, especially an anti-HIV drug.

  化合物的式子为(I)的杂环化合物：其中B1为—C(R2)═或—N═；R1'为H等；R1和R2中的一个为-Z1-Z2-Z3-R5，其中Z1和Z3分别为单键，可选地取代的烷基等；Z2为单键，可选地取代的烷基等；R1为可选地取代的芳基，可选地取代的杂环芳基等，而R1和R2中的另一个为H；-A1-为—C(—Y)═C(—RA)—C(—R3)═C(—R4)—等，其中Y为OH等；RA为—COR7，其中R7为OH等；R3和R4中的一个为羧基等，而R1和R2中的另一个为H等。该化合物的前药、药学上可接受的盐和其溶剂化物具有抗病毒活性，特别是对HIV整合酶的抑制活性，以及含有该化合物的药物组合物，尤其是抗HIV药物。
• HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1541558A1

  公开（公告）日：2005-06-15

  A heterocyclic compound of the formula (I): wherein B1 is -C(R2)= or -N=; R1' is H, etc.; one of R1 and R2 is -Z1-Z2-Z3-R5 wherein Z1 and Z3 are independently single bond, optionally substituted alkylene, etc.; Z2 is single bond, optionally substituted alkylene, etc.; R5 is optionally substituted aryl, optionally substituted heteroaryl, etc., and the other of R1 and R2 is H; -A1- is -C(-Y)=C(-RA)-C(-R3)=C(-R4)-, etc. wherein Y is OH, etc.; RA is -COR7 wherein R7 is OH, etc.; one of R3 and R4 is carboxy, etc., and the other of R1 and R2 is H, etc, a prodrug thereof, a pharmaceutically acceptable salt thereof, and a solvate thereof, having an antiviral activity, more particularly, an inhibitory activity against HIV integrase, and a pharmaceutical composition containing the same, especially an anti-HIV drug.

  式 (I) 的杂环化合物： 其中 B1 是 -C(R2)= 或 -N=；R1' 是 H 等；R1 和 R2 中的一个是 -Z1-Z2-Z3-R5，其中 Z1 和 Z3 独立地是单键、任选取代的亚烷基等；Z2 是单键、任选取代的亚烷基等；R5 是任选取代的芳基、任选取代的杂芳基等、R1和R2中的另一个是H；-A1-是-C(-Y)=C(-RA)-C(-R3)=C(-R4)-等，其中Y是OH等；RA是-COR7，其中R7是OH等；R3和R4中的一个是羧基等、R1和R2中的另一个是H等，其原药、其药学上可接受的盐和其溶液，具有抗病毒活性，特别是对HIV整合酶的抑制活性，以及含有其的药物组合物，特别是抗HIV药物。
• HETEROCYCLIC COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY
  申请人：SHIONOGI & CO., LTD.

  公开号：EP1541558B1

  公开（公告）日：2008-08-13
• US7358249B2
  申请人：——

  公开号：US7358249B2

  公开（公告）日：2008-04-15