6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethyl-4H-imidazo[4,5-b]pyridin-7-one | 457945-63-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并嘧啶类
• 英文名称: 6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethyl-4H-imidazo[4,5-b]pyridin-7-one
• CAS: 457945-63-0
• 化学式: C₁₇H₁₄FN₅O₂
• 分子量: 339.329
• InChiKey: GQNFHXSQIZWYJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  85.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethyl-4H-imidazo[4,5-b]pyridin-7-one 在 tetraphosphorus decasulfide 作用下， 以 吡啶 为溶剂， 反应 6.0h， 以27%的产率得到6-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-2,3-dimethyl-4H-imidazo[4,5-b]pyridine-7-thione
  参考文献：
  名称：

  NITROGEN-CONTAINING HETEROARYL COMPOUNDS HAVING HIV INTEGRASE INHIBITORY ACTIVITY

  摘要：

  公开号：

  EP1375486B1

文献信息

• 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS PHARMACEUTICAL AGENT
  申请人：Japan Tobacco Inc.

  公开号：US20150174117A1

  公开（公告）日：2015-06-25

  An anti-HIV agent containing, as an active ingredient, a 4-oxoquinoline compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof. The compound of the present invention has HIV integrase inhibitory action and is useful as an anti-HIV agent for the prophylaxis or therapy of AIDS. Moreover, by a combined use with other anti-HIV agents such as protease inhibitors, reverse transcriptase inhibitors and the like, the compound can become a more effective anti-HIV agent. Since the compound has high inhibitory activity specific for integrases, it can provide a safe pharmaceutical agent with a fewer side effects for human.

  一种抗HIV剂，其活性成分为以下式[I]所代表的4-氧喹啉化合物，其中每个符号在规范中定义，或其药学上可接受的盐。本发明的化合物具有HIV整合酶抑制作用，并且可用作预防或治疗艾滋病的抗HIV剂。此外，通过与其他抗HIV剂（如蛋白酶抑制剂，逆转录酶抑制剂等）的联合使用，该化合物可以成为更有效的抗HIV剂。由于该化合物具有高度特异性的整合酶抑制活性，因此可以提供一种对人体副作用较少的安全药物。
• 4-OXOQUINOLINE COMPOUND AND USE THEREOF AS HIV INTEGRASE INHIBITOR
  申请人：SATOH Motohide

  公开号：US20130172344A1

  公开（公告）日：2013-07-04

  An anti-HIV agent containing, as an active ingredient, a 4-oxoquinoline compound represented by the following formula [I] wherein each symbol is as defined in the specification, or a pharmaceutically acceptable salt thereof. The compound of the present invention has HIV integrase inhibitory action and is useful as an anti-HIV agent for the prophylaxis or therapy of AIDS. Moreover, by a combined use with other anti-HIV agents such as protease inhibitors, reverse transcriptase inhibitors and the like, the compound can become a more effective anti-HIV agent. Since the compound has high inhibitory activity specific for integrases, it can provide a safe pharmaceutical agent with a fewer side effects for human.

  一种抗HIV药剂，其含有以下式[I]所表示的4-氧喹啉化合物作为活性成分，其中每个符号如规范中所定义，或其药学上可接受的盐。本发明的化合物具有HIV整合酶抑制作用，可用于预防或治疗艾滋病的抗HIV药剂。此外，与其他抗HIV药剂（如蛋白酶抑制剂、反转录酶抑制剂等）联合使用，该化合物可以成为更有效的抗HIV药剂。由于该化合物具有针对整合酶的高抑制活性，因此可以提供一种对人体副作用更少的安全药物。
• Combination Therapy
  申请人：JAPAN TOBACCO INC.

  公开号：US20140364389A1

  公开（公告）日：2014-12-11

  The present invention relates to a combination therapy for treating an HIV infection or inhibiting integrase comprising (S)-6-(3-Chloro-2-fluorobenzyl)-1-(1-hydroxymethyl-2-methylpropyl)-7-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (“Compound A”) or a pharmaceutically acceptable solvate or salt thereof in combination with at least one other anti-HIV agent. In some embodiments of the present invention, the other anti-HIV agents are chosen from reverse transcriptase inhibitors and protease inhibitors. In certain embodiments of the present invention, the other anti-HIV agents are chosen from AZT, 3TC, PMPA, efavirenz, indinavir, nelfinavir, a combination of AZT/3TC, and a combination of PMPA/3TC. Since Compound A has a high inhibitory activity specific for integrases, when used in combinations with other anti-HIV agents it can provide a combination therapy with fewer side effects for humans.

  本发明涉及一种联合治疗HIV感染或抑制整合酶的组合疗法，包括（S）-6-（3-氯-2-氟苯基）-1-（1-羟甲基-2-甲基丙基）-7-甲氧基-4-氧代-1，4-二氢喹啉-3-羧酸（“化合物A”）或其药学上可接受的溶剂化物或盐与至少一种其他抗HIV剂的联合使用。在本发明的某些实施例中，其他抗HIV药物选择自反转录酶抑制剂和蛋白酶抑制剂。在本发明的某些实施例中，其他抗HIV剂选择自AZT，3TC，PMPA，依法韦伦，印地那韦，奈非那韦，AZT / 3TC的组合和PMPA / 3TC的组合。由于化合物A具有高特异性抑制整合酶的活性，当与其他抗HIV药物联合使用时，可以为人类提供更少的副作用的联合治疗。
• Nitrogen-containing Heteroaryl compounds having HIV Integrase Inhibitory Activity
  申请人：Shionogi&Co., Ltd.

  公开号：EP2033952A1

  公开（公告）日：2009-03-11

  A compound of the formula: wherein C ring is nitrogen-containing heteroaryl, Z10 is -C(-R16)= or -N=, and R11 to R18 are substituents having specifically defined meanings, has an inhibitory activity against integrase.

  式中的化合物： 其中 C环为含氮杂芳基，Z10为-C(-R16)=或-N=，R11至R18为具有明确定义含义的取代基，对整合酶具有抑制活性。
• US7176220B2
  申请人：——

  公开号：US7176220B2

  公开（公告）日：2007-02-13