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6-(2,4-difluorophenoxy)-8-ethyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one | 449811-51-2

中文名称
——
中文别名
——
英文名称
6-(2,4-difluorophenoxy)-8-ethyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one
英文别名
6-(2,4-difluorophenoxy)-8-ethyl-2-(methylsulfonyl)pyrido[2,3-d]pyrimidin-7(8H)-one;6-(2,4-Difluorophenoxy)-8-ethyl-2-methylsulfonylpyrido[2,3-d]pyrimidin-7-one
6-(2,4-difluorophenoxy)-8-ethyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one化学式
CAS
449811-51-2
化学式
C16H13F2N3O4S
mdl
——
分子量
381.36
InChiKey
DHVBULVZQNWPRF-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:
    26
  • 可旋转键数:
    4
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.19
  • 拓扑面积:
    97.8
  • 氢给体数:
    0
  • 氢受体数:
    8

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    6-(2,4-difluorophenoxy)-8-ethyl-2-methylsulfonyl-8H-pyrido[2,3-d]pyrimidin-7-one盐酸 作用下, 以 N-甲基吡咯烷酮甲醇乙醚 为溶剂, 反应 2.0h, 生成 6-(2,4-difluorophenoxy)-8-ethyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one hydrochloride
    参考文献:
    名称:
    Discovery of 6-(2,4-Difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (Pamapimod) and 6-(2,4-Difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as Orally Bioavailable and Highly Selective Inhibitors of p38α Mitogen-Activated Protein Kinase
    摘要:
    The development of a new series of p38 alpha inhibitors resulted in the identification of two clinical candidates, one of which was advanced into a phase 2 clinical study for rheumatoid arthritis. The original lead, an lck inhibitor that also potently inhibited p38a, was a screening hit from our kinase inhibitor library. This manuscript describes the optimization of the lead to p38-selective examples with good pharmacokinetic properties.
    DOI:
    10.1021/jm101423y
  • 作为产物:
    参考文献:
    名称:
    Discovery of 6-(2,4-Difluorophenoxy)-2-[3-hydroxy-1-(2-hydroxyethyl)propylamino]-8-methyl-8H-pyrido[2,3-d]pyrimidin-7-one (Pamapimod) and 6-(2,4-Difluorophenoxy)-8-methyl-2-(tetrahydro-2H-pyran-4-ylamino)pyrido[2,3-d]pyrimidin-7(8H)-one (R1487) as Orally Bioavailable and Highly Selective Inhibitors of p38α Mitogen-Activated Protein Kinase
    摘要:
    The development of a new series of p38 alpha inhibitors resulted in the identification of two clinical candidates, one of which was advanced into a phase 2 clinical study for rheumatoid arthritis. The original lead, an lck inhibitor that also potently inhibited p38a, was a screening hit from our kinase inhibitor library. This manuscript describes the optimization of the lead to p38-selective examples with good pharmacokinetic properties.
    DOI:
    10.1021/jm101423y
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文献信息

  • 6-Substituted pyrido-pyrimidines
    申请人:——
    公开号:US20030171584A1
    公开(公告)日:2003-09-11
    The present invention provides compounds of the Formula I and II: 1 wherein R 1 , R 3 , W, Z, X 1 , X 2 , Ar 1 , R 8 and R 9 are as defined herein, and methods and intermediates for their preparation and uses thereof.
    本发明提供了化合物I和II的结构:其中R1、R3、W、Z、X1、X2、Ar1、R8和R9如本文所定义,并提供它们的制备方法和中间体以及它们的用途。
  • 6-SUBSTITUTED PYRIDO-PYRIMIDINES
    申请人:F. HOFFMANN-LA ROCHE AG
    公开号:EP1361880B1
    公开(公告)日:2005-09-28
  • US6696566B2
    申请人:——
    公开号:US6696566B2
    公开(公告)日:2004-02-24
  • US7169794B2
    申请人:——
    公开号:US7169794B2
    公开(公告)日:2007-01-30
  • US7449581B2
    申请人:——
    公开号:US7449581B2
    公开(公告)日:2008-11-11
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