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dimethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate | 1268521-95-4

中文名称
——
中文别名
——
英文名称
dimethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
英文别名
——
dimethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate化学式
CAS
1268521-95-4
化学式
C12H9F3N2O4
mdl
——
分子量
302.21
InChiKey
NVHNULHAMQXZDO-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2
  • 重原子数:
    21
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.25
  • 拓扑面积:
    69.9
  • 氢给体数:
    0
  • 氢受体数:
    8

上下游信息

  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2

反应信息

  • 作为反应物:
    描述:
    dimethyl 7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2,3-dicarboxylate盐酸 、 (1,5-cyclooctadiene)(methoxy)iridium(I) dimer 、 硫酸双氧水溶剂黄1464,4'-二叔丁基-2,2'-二吡啶 作用下, 以 为溶剂, 反应 10.8h, 生成 5-羟基-7-(三氟甲基)吡唑并[1,5-a]吡啶-2-羧酸甲酯
    参考文献:
    名称:
    Hepatitis C Replication Inhibitors That Target the Viral NS4B Protein
    摘要:
    We describe the preclinical development and in vivo efficacy of a novel chemical series that inhibits hepatitis C virus replication via direct interaction with the viral nonstructural protein 4B (NS4B). Significant potency improvements were realized through isosteric modifications to our initial lead la. The temptation to improve antiviral activity while compromising physicochemical properties was tempered by the judicial use of ligand efficiency indices during lead optimization. In this manner, compound la was transformed into (+)-28a which possessed an improved antiviral profile with no increase in molecular weight and only a modest elevation in lipophilicity. Additionally, we employed a chimeric "humanized" mouse model of HCV infection to demonstrate for the first time that a small molecule with high in vitro affinity for NS4B can inhibit viral replication in vivo. This successful proof-of-concept study suggests that drugs targeting NS4B may represent a viable treatment option for curing HCV infection.
    DOI:
    10.1021/jm400125h
  • 作为产物:
    参考文献:
    名称:
    Hepatitis C Replication Inhibitors That Target the Viral NS4B Protein
    摘要:
    We describe the preclinical development and in vivo efficacy of a novel chemical series that inhibits hepatitis C virus replication via direct interaction with the viral nonstructural protein 4B (NS4B). Significant potency improvements were realized through isosteric modifications to our initial lead la. The temptation to improve antiviral activity while compromising physicochemical properties was tempered by the judicial use of ligand efficiency indices during lead optimization. In this manner, compound la was transformed into (+)-28a which possessed an improved antiviral profile with no increase in molecular weight and only a modest elevation in lipophilicity. Additionally, we employed a chimeric "humanized" mouse model of HCV infection to demonstrate for the first time that a small molecule with high in vitro affinity for NS4B can inhibit viral replication in vivo. This successful proof-of-concept study suggests that drugs targeting NS4B may represent a viable treatment option for curing HCV infection.
    DOI:
    10.1021/jm400125h
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文献信息

  • [EN] PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS<br/>[FR] AGENTS ANTIVIRAUX DE PYRAZOLYLPYRIDINE
    申请人:GLAXOSMITHKLINE LLC
    公开号:WO2011050284A1
    公开(公告)日:2011-04-28
    Provided are compounds of Formula (I) and/or Formula (II) and pharmaceutically acceptable salts thereof, their pharmaceutical compositions, their methods of preparation, and their use for treating viral infections mediated by a member of the Flaviviridae family of viruses such as hepatitis C virus (HCV).
    提供的是公式(I)和/或公式(II)的化合物以及它们的药用可接受的盐、它们的药物组合物、它们的制备方法,以及它们用于治疗由黄病毒科病毒家族成员如丙型肝炎病毒(HCV)介导的病毒感染。
  • [EN] COMPOUND AS WNT SIGNAL PATHWAY INHIBITOR AND MEDICAL USE THEREOF<br/>[FR] COMPOSÉ EN TANT QU'INHIBITEUR DE LA VOIE DE SIGNALISATION WNT ET SON UTILISATION MÉDICALE<br/>[ZH] 作为WNT信号通路抑制剂的化合物及其医学应用
    申请人:HUIHAN MEDICAL TECH LTD CO
    公开号:WO2020125759A1
    公开(公告)日:2020-06-25
    本发明提供了具有WNT信号通路抑制活性的5,6双环结构的化合物和取代5,6杂双环氨基化合物,可以用于WNT信号通路相关疾病的治疗。相关疾病包括但不限于:肿瘤、畸形综合症、骨或软骨疾病、糖尿病或其并发症、组织纤维化等。
  • Hepatitis C Replication Inhibitors That Target the Viral NS4B Protein
    作者:John F. Miller、Pek Y. Chong、J. Brad Shotwell、John G. Catalano、Vincent W.-F. Tai、Jing Fang、Anna L. Banka、Christopher D. Roberts、Michael Youngman、Huichang Zhang、Zhiping Xiong、Amanda Mathis、Jeffery J. Pouliot、Robert K. Hamatake、Daniel J. Price、John W. Seal、Lisa L. Stroup、Katrina L. Creech、Luz H. Carballo、Dan Todd、Andrew Spaltenstein、Sylvia Furst、Zhi Hong、Andrew J. Peat
    DOI:10.1021/jm400125h
    日期:2014.3.13
    We describe the preclinical development and in vivo efficacy of a novel chemical series that inhibits hepatitis C virus replication via direct interaction with the viral nonstructural protein 4B (NS4B). Significant potency improvements were realized through isosteric modifications to our initial lead la. The temptation to improve antiviral activity while compromising physicochemical properties was tempered by the judicial use of ligand efficiency indices during lead optimization. In this manner, compound la was transformed into (+)-28a which possessed an improved antiviral profile with no increase in molecular weight and only a modest elevation in lipophilicity. Additionally, we employed a chimeric "humanized" mouse model of HCV infection to demonstrate for the first time that a small molecule with high in vitro affinity for NS4B can inhibit viral replication in vivo. This successful proof-of-concept study suggests that drugs targeting NS4B may represent a viable treatment option for curing HCV infection.
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同类化合物

西卡唑酯 维利西呱 盐酸依他唑酯 月桂41-2272 月桂-41-8543 异丁司特 吡唑并[5,1-f]吡啶-6-甲醛 吡唑并[1,5-a]吡啶-7-羧酸 吡唑并[1,5-a]吡啶-7-甲醇 吡唑并[1,5-a]吡啶-7-甲胺 吡唑并[1,5-a]吡啶-5-醇 吡唑并[1,5-a]吡啶-5-胺 吡唑并[1,5-a]吡啶-5-羧醛 吡唑并[1,5-a]吡啶-5-羧酸 吡唑并[1,5-a]吡啶-5-基甲醇 吡唑并[1,5-a]吡啶-4-醇 吡唑并[1,5-a]吡啶-4-羧酸乙酯 吡唑并[1,5-a]吡啶-4-羧酸 吡唑并[1,5-a]吡啶-4-甲醛 吡唑并[1,5-a]吡啶-3-胺盐酸盐 吡唑并[1,5-a]吡啶-3-胺 吡唑并[1,5-a]吡啶-3-羧酸甲酯 吡唑并[1,5-a]吡啶-3-羧酸 吡唑并[1,5-a]吡啶-3-甲醛 吡唑并[1,5-a]吡啶-3-甲酰胺 吡唑并[1,5-a]吡啶-3-甲胺 吡唑并[1,5-a]吡啶-3-基甲醇 吡唑并[1,5-a]吡啶-3-基乙腈 吡唑并[1,5-a]吡啶-3,7-二醇 吡唑并[1,5-a]吡啶-3,7-二胺 吡唑并[1,5-a]吡啶-3,6-二胺 吡唑并[1,5-a]吡啶-3,5-二胺 吡唑并[1,5-a]吡啶-3,4-二胺 吡唑并[1,5-a]吡啶-2-羧醛 吡唑并[1,5-a]吡啶-2-碳酰肼 吡唑并[1,5-a]吡啶-2-甲醇 吡唑并[1,5-a]吡啶-2-甲酸甲酯 吡唑并[1,5-a]吡啶-2-甲酸 吡唑并[1,5-a]吡啶-2-甲胺 吡唑并[1,5-a]吡啶-2,3-二胺 吡唑并[1,5-a]吡啶-2,3-二甲酸二甲酯 吡唑并[1,5-a]吡啶-2,3-二甲酸二乙酯 吡唑并[1,5-a]吡啶-2(1H)-酮 吡唑并[1,5-a]吡啶 吡唑并[1,5-A〕吡啶-3,5-二羧酸-3-乙基 吡唑并[1,5-A]吡啶-7-甲酰胺 吡唑并[1,5-A]吡啶-7-甲腈 吡唑并[1,5-A]吡啶-5-甲腈 吡唑并[1,5-A]吡啶-3-硼酸 吡唑并[1,5-A]吡啶-3-硫代甲酰胺