4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylthiomethyl)-3-iodo-6-methyl-pyridin-2(1H)-one | 871845-10-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylthiomethyl)-3-iodo-6-methyl-pyridin-2(1H)-one
• 英文别名: 4-(3,5-Dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methylpyridin-2(1H)-one；4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylsulfanylmethyl)-3-iodo-6-methyl-1H-pyridin-2-one
• CAS: 871845-10-2
• 化学式: C₂₀H₂₀INO₃S
• 分子量: 481.354
• InChiKey: YZLKVEDFWLGNQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  76.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-chloromethyl-3-iodo-6-methyl-4-(3,5-dimethylpheoxy)pyridin-2(1H)-one 、 糠基硫醇 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 3.0h， 以60 mg的产率得到4-(3,5-dimethylphenoxy)-5-(furan-2-ylmethylthiomethyl)-3-iodo-6-methyl-pyridin-2(1H)-one
  参考文献：
  名称：

  Synthesis and Biological Evaluation of C-5 Methyl Substituted 4-Arylthio and 4-Aryloxy-3-Iodopyridin-2(1H)-one Type Anti-HIV Agents

  摘要：

  A series of C-5 methyl substituted 4-arylthio- and 4-aryloxy-3-iodopyridin-2(1H)-ones hits been synthesized its new pyridinone analogues for their evaluation as anti-HIV inhibitors. The optimization at the 5-position wits developed through an efficient use of the key intermediates 5-ethoxycarbonyl- and 5-cyano-pyridin-2(1H)-ones (14 and 15). Biological studies revealed that several compounds show potent HIV-1 reverse transcriptase inhibitory properties, for example, compounds 93 and 99 are active at 0.6-50 nM against wild type HIV-1 and a panel of major simple/double HIV mutant strains.

  DOI：

  10.1021/jm900802y

文献信息

• CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS
  申请人：YALE UNIVERSITY

  公开号：US20140288017A1

  公开（公告）日：2014-09-25

  The present invention is directed to novel catechol diether compounds, pharmaceutical compositions therefrom and methods for inhibiting reverse transcriptase and treating HIV infections, especially included drug resistant strains of HIV 1 and 2 and/or secondary disease states and/or conditions which occur as a consequence of HIV infection.

  本发明涉及新型儿茶酚二醚化合物、其制药组合物以及抑制反转录酶和治疗HIV感染的方法，特别包括抗药性HIV 1和2以及/或作为HIV感染后果的二级疾病状态和/或条件。
• REGULATED BIOCIRCUIT SYSTEMS
  申请人：Obsidian Therapeutics, Inc.

  公开号：US20190192691A1

  公开（公告）日：2019-06-27

  The present invention provides regulatable biocircuit systems. Such systems provide modular and tunable protein expression systems in support of the discovery and development of therapeutic modalities.
• IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS
  申请人：CAMP4 THERAPEUTICS CORPORATION

  公开号：US20210254056A1

  公开（公告）日：2021-08-19

  The present invention provides methods and compositions for the evaluation, alteration and/or optimization of gene signaling. Methods and systems are also provided which exploit the information generated in the identification of new targets and non-canonical signaling pathways.
• US9487476B2
  申请人：——

  公开号：US9487476B2

  公开（公告）日：2016-11-08
• [EN] CATECHOL DIETHERS AS POTENT ANTI-HIV AGENTS<br/>[FR] DIÉTHERS DE CATÉCHOL COMME AGENTS ANTI-HIV PUISSANTS
  申请人：UNIV YALE

  公开号：WO2013056003A2

  公开（公告）日：2013-04-18

  The present invention is directed to novel catechol diether compounds, pharmaceutical compositions therefrom and methods for inhibiting reverse transcriptase and treating HIV infections, especially included drug resistant strains of HIV 1 and 2 and/or secondary disease states and/or conditions which occur as a consequence of HIV infection.