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4-(4-chlorobenzylthio)pyridin-2(1H)-one | 1245426-11-2

中文名称
——
中文别名
——
英文名称
4-(4-chlorobenzylthio)pyridin-2(1H)-one
英文别名
4-[(4-chlorophenyl)methylsulfanyl]-1H-pyridin-2-one
4-(4-chlorobenzylthio)pyridin-2(1H)-one化学式
CAS
1245426-11-2
化学式
C12H10ClNOS
mdl
——
分子量
251.737
InChiKey
KXAWPGNTNJNWRJ-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):
    2.6
  • 重原子数:
    16
  • 可旋转键数:
    3
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.08
  • 拓扑面积:
    54.4
  • 氢给体数:
    1
  • 氢受体数:
    2

反应信息

  • 作为产物:
    描述:
    4-氯苄硫醇4-氯-2-羟基吡啶potassium carbonate 作用下, 反应 18.0h, 以46.9%的产率得到4-(4-chlorobenzylthio)pyridin-2(1H)-one
    参考文献:
    名称:
    [EN] PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS
    [FR] ANALOGUES DE PYRIDONE UTILES COMME ANTAGONISTES DU RÉCEPTEUR 1 DE L'HORMONE CONCENTRANT LA MÉLANINE
    摘要:
    MCHR1拮抗剂具有以下的化学式I:其中A1和A2独立地为C或N;E为C或N;D1为键,-CR8R9X-,-XCR8R9-,-CHR8CHR9-,-CR10=CR10'-,-C≡C-,或1,2-环丙基;X为O,S或-NR11;R1、R2和R3独立地选自氢、卤素、低烷基、低环烷基、低环氧基、-CF3、-OCF3、-OR12和-SR12的组;G为O或S;D2为低烷基、低环烷基、低烷基环烷基、低环烷基烷基、低环氧基烷基或低烷基环氧基;Z1和Z2独立地为氢、卤素、低烷基、低环烷基、低烷氧基、低环氧基、卤、-CF3、-OCONR14R14'、-CN、-CONR14R14'、-SOR12、-SO2R12、-NR14COR14'、-NR14CO2R14'、-CO2R12、NR14SO2R12或-COR12,但如果Z1为-CH3且R1、R2或R3中有一个为F,则Z2不能为H;R5、R6和R7独立地选自氢、卤素、低烷基、低环烷基、-CF3、-SR12、低烷氧基、低环氧基、-OCH2OMe、-CN、-CONR14R14'、SOR12、SO2R12、NR14COR14'、NR14CO2R12、CO2R12、NR14SO2R12和-COR12;R8、R9、R10、R10'、R11独立地为氢或低烷基;R12为低烷基或低环烷基;R14和R14'独立地为H、低烷基、低环烷基或R14和R14'与它们连接的N一起形成具有4至7个原子的环。这类化合物对于治疗MCHR1介导的疾病,如肥胖症、糖尿病、炎症性肠病、抑郁症和焦虑症是有用的。
    公开号:
    WO2010104830A1
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文献信息

  • PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS
    申请人:Ahmad Saleem
    公开号:US20110319449A1
    公开(公告)日:2011-12-29
    MCHR1 antagonists are provided having the following Formula I: wherein all of the variables are defined herein. Such compounds are useful for the treatment of MCHR1 mediated diseases, such as obesity, diabetes, IBD, depression, and anxiety.
    提供具有以下公式I的MCHR1拮抗剂:其中所有变量均在此处定义。这些化合物对于治疗MCHR1介导的疾病,如肥胖症、糖尿病、炎症性肠病、抑郁症和焦虑症非常有用。
  • Pyridone analogs useful as melanin concentrating hormone receptor-1 antagonists
    申请人:Ahmad Saleem
    公开号:US08563583B2
    公开(公告)日:2013-10-22
    MCHR1 antagonists are provided having the following Formula I: wherein all of the variables are defined herein. Such compounds are useful for the treatment of MCHR1 mediated diseases, such as obesity, diabetes, IBD, depression, and anxiety.
    提供具有以下化学式I的MCHR1拮抗剂: 其中所有变量在此定义。这些化合物对于治疗MCHR1介导的疾病,如肥胖症、糖尿病、炎症性肠病、抑郁症和焦虑症非常有用。
  • US8563583B2
    申请人:——
    公开号:US8563583B2
    公开(公告)日:2013-10-22
  • [EN] PYRIDONE ANALOGS USEFUL AS MELANIN CONCENTRATING HORMONE RECEPTOR-1 ANTAGONISTS<br/>[FR] ANALOGUES DE PYRIDONE UTILES COMME ANTAGONISTES DU RÉCEPTEUR 1 DE L'HORMONE CONCENTRANT LA MÉLANINE
    申请人:BRISTOL MYERS SQUIBB CO
    公开号:WO2010104830A1
    公开(公告)日:2010-09-16
    MCHR1 antagonists are provided having the following Formula I: wherein A1 and A2 are independently C or N; E is C or N; D1 is a bond, -CR8R9X-, -XCR8R9-, -CHR8CHR9-, -CR10=CR10'-, -C≡C-, or 1,2-cyclopropyl; X is O, S or -NR11; R1, R2, and R3 are independently selected from the group consisting of hydrogen, halogen, lower alkyl, lower cycloalkyl, lower cycloalkoxy, -CF3, -OCF3, -OR12 and -SR12; G is O or S; D2 is lower alkyl, lower cycloalkyl, lower alkylcycloalkyl, lower cycloalkylalkyl, lower cycloalkoxyalkyl or lower alkycycloalkoxy; Z1 and Z2 are independently hydrogen, halogen, lower alkyl, lower cycloalkyl, lower alkoxy, lower cycloalkoxy, halo, -CF3, -OCONR14R14', -CN, -CONR14R14', -SOR12, -SO2R12, -NR14COR14', -NR14CO2R14', -CO2R12, NR14SO2R12 or -COR12 provided that if Z1 is -CH3 and one of R1, R2, or R3 is F, then Z2 cannot be H;; R5, R6, and R7 are independently selected from the group consisting of hydrogen, halogen, lower alkyl, lower cycloalkyl, -CF3, -SR12, lower alkoxy, lower cycloalkoxy, -OCH2OMe, -CN, -CONR14R14', SOR12, SO2R12, NR14COR14', NR14CO2R12, CO2R12, NR14SO2R12 and -COR12; R8, R9, R10, R10', R11 are independently hydrogen or lower alkyl; R12 is lower alkyl or lower cycloalkyl; and R14 and R14' are independently H, lower alkyl, lower cycloalkyl or R14 and R14' together with the N to which they are attached form a ring having 4 to 7 atoms. Such compounds are useful for the treatment of MCHR1 mediated diseases, such as obesity, diabetes, IBD, depression, and anxiety.
    MCHR1拮抗剂具有以下的化学式I:其中A1和A2独立地为C或N;E为C或N;D1为键,-CR8R9X-,-XCR8R9-,-CHR8CHR9-,-CR10=CR10'-,-C≡C-,或1,2-环丙基;X为O,S或-NR11;R1、R2和R3独立地选自氢、卤素、低烷基、低环烷基、低环氧基、-CF3、-OCF3、-OR12和-SR12的组;G为O或S;D2为低烷基、低环烷基、低烷基环烷基、低环烷基烷基、低环氧基烷基或低烷基环氧基;Z1和Z2独立地为氢、卤素、低烷基、低环烷基、低烷氧基、低环氧基、卤、-CF3、-OCONR14R14'、-CN、-CONR14R14'、-SOR12、-SO2R12、-NR14COR14'、-NR14CO2R14'、-CO2R12、NR14SO2R12或-COR12,但如果Z1为-CH3且R1、R2或R3中有一个为F,则Z2不能为H;R5、R6和R7独立地选自氢、卤素、低烷基、低环烷基、-CF3、-SR12、低烷氧基、低环氧基、-OCH2OMe、-CN、-CONR14R14'、SOR12、SO2R12、NR14COR14'、NR14CO2R12、CO2R12、NR14SO2R12和-COR12;R8、R9、R10、R10'、R11独立地为氢或低烷基;R12为低烷基或低环烷基;R14和R14'独立地为H、低烷基、低环烷基或R14和R14'与它们连接的N一起形成具有4至7个原子的环。这类化合物对于治疗MCHR1介导的疾病,如肥胖症、糖尿病、炎症性肠病、抑郁症和焦虑症是有用的。
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