3-chloro-5-((1-((5-(1-methyl-1H-pyrazol-5-yl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile | 1591825-41-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 3-chloro-5-((1-((5-(1-methyl-1H-pyrazol-5-yl)-6-oxo-1,6-dihydropyridazin-3-yl)methyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile
• 英文别名: 3-chloro-5-[1-[[5-(2-methylpyrazol-3-yl)-6-oxo-1H-pyridazin-3-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxy-benzonitrile；3-chloro-5-[1-[[5-(2-methylpyrazol-3-yl)-6-oxo-1H-pyridazin-3-yl]methyl]-6-oxo-4-(trifluoromethyl)pyrimidin-5-yl]oxybenzonitrile
• CAS: 1591825-41-0
• 化学式: C₂₁H₁₃ClF₃N₇O₃
• 分子量: 503.828
• InChiKey: DAJKEENYKHSAOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  35
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  125
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Arrington Kenneth L.

  公开号：US20140100231A1

  公开（公告）日：2014-04-10

  Compounds of Formula I: are HIV reverse transcriptase inhibitors, wherein R 1 , R 2 , R E , L, M and Z are defined herein. The compounds of Formula I and their pharmaceutically acceptable salts are useful in the inhibition of HIV reverse transcriptase, the prophylaxis and treatment of infection by HIV and in the prophylaxis, delay in the onset or progression, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  化合物的化学式I： 是HIV反转录酶抑制剂，其中R 1 ，R 2 ，E，L，M和Z在此处定义。化合物I的化合物及其药学上可接受的盐在抑制HIV反转录酶，预防和治疗HIV感染以及预防，延迟发病或进展和治疗艾滋病方面是有用的。这些化合物及其盐可作为药物组合物中的成分，可选择地与其他抗病毒药物，免疫调节剂，抗生素或疫苗结合使用。
• COMBINATIONS COMPRISING 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE FOR THE PROPHYLAXIS OR TREATMENT OF INFECTION BY HIV
  申请人：MERCK SHARP & DOHME CORP.

  公开号：EP3295942A1

  公开（公告）日：2018-03-21

  The invention relates to a combination comprising an effective amount of (i) a 5-phenoxy-3H-pyrimidin-4-one derivative of Formula I: or a pharmaceutically acceptable salt thereof wherein M is CH2, CH2CH2, CH2CH2CH2, CH(CH3), C(CH3)2 or C(O)N(RA), and Z is selected from the group consisting of: pyridazine, pyridazinone, pyrimidine, pyrimidinone, pyrazine, pyrazinone, triazine and triazinone, each optionally substituted with one or more substituents up to the maximum number allowed by valence selected from R4 and R5, and (ii) one or more anti-HIV agent(s). The invention further relates to use of said combination for the prophylaxis or treatment of infection by HIV or for the prophylaxis, treatment, or delay in the onset of AIDS in a subject.

  本发明涉及一种组合物，它包含有效量的以下物质 (i) 式 I 的 5-苯氧基-3H-嘧啶-4-酮衍生物： 或其药学上可接受的盐 其中 M 是 CH2、 、 、CH(CH3)、C( )2 或 C(O)N(RA)，以及 Z 选自以下组成的组：哒嗪、哒嗪酮、嘧啶、嘧啶酮、吡嗪、吡嗪酮、三嗪和三嗪酮，每个都可选地被一个或多个取代基取代，取代基的最大数目为价态所允许的最大数目，选自 R4 和 R5，以及 (ii) 一种或多种抗艾滋病毒制剂。 本发明进一步涉及将所述组合物用于预防或治疗艾滋病病毒感染，或用于预防、治疗或延缓受试者的艾滋病发病。
• Non-nucleoside reverse transcriptase inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US10189831B2

  公开（公告）日：2019-01-29

  Compounds of Formula I: are HIV reverse transcriptase inhibitors, wherein R1, R2, RE, L, M and Z are defined herein. The compounds of Formula I and their pharmaceutically acceptable salts are useful in the inhibition of HIV reverse transcriptase, the prophylaxis and treatment of infection by HIV and in the prophylaxis, delay in the onset or progression, and treatment of AIDS. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  式 I 的化合物： 是 HIV 逆转录酶抑制剂，其中 R1、R2、RE、L、M 和 Z 在本文中定义。式 I 的化合物及其药学上可接受的盐类可用于抑制 HIV 逆转录酶，预防和治疗 HIV 感染，以及预防、延缓艾滋病的发生或发展和治疗艾滋病。这些化合物及其盐类可用作药物组合物的成分，也可与其他抗病毒药物、免疫调节剂、抗生素或疫苗结合使用。
• 5-PHENOXY-3H-PYRIMIDIN-4-ONE DERIVATIVES AND THEIR USE AS HIV REVERSE TRANSCRIPTASE INHIBITORS
  申请人：Merck Sharp & Dohme Corp.

  公开号：EP2903977B1

  公开（公告）日：2017-09-20
• US9469634B2
  申请人：——

  公开号：US9469634B2

  公开（公告）日：2016-10-18