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4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑 | 1107663-77-3

中文名称
4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑
中文别名
——
英文名称
4-(Chloromethyl)-5-methyl-2-(thiophen-3-yl)-1,3-oxazole
英文别名
4-(chloromethyl)-5-methyl-2-thiophen-3-yl-1,3-oxazole
4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑化学式
CAS
1107663-77-3
化学式
C9H8ClNOS
mdl
MFCD16622128
分子量
213.688
InChiKey
NTZYYXVEAWDWCR-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):
    2.5
  • 重原子数:
    13
  • 可旋转键数:
    2
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.222
  • 拓扑面积:
    54.3
  • 氢给体数:
    0
  • 氢受体数:
    3

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:
    4-(氯甲基)-5-甲基-2-(噻吩-3-基)恶唑硫酸 作用下, 以 N,N-二甲基甲酰胺 为溶剂, 反应 20.0h, 生成
    参考文献:
    名称:
    Revisiting glitazars: Thiophene substituted oxazole containing α-ethoxy phenylpropanoic acid derivatives as highly potent PPARα/γ dual agonists devoid of adverse effects in rodents
    摘要:
    In an effort to develop safe and efficacious compounds for the treatment of metabolic disorders, novel thiophene substituted oxazole containing alpha-alkoxy-phenylpropanoic acid derivatives are designed as highly potent PPAR alpha/gamma dual agonists. These compounds were found to be efficacious at picomolar concentrations. Lead compound 18d has emerged as very potent PPAR alpha/gamma dual agonist demonstrating potent antidiabetic and lipid lowering activity at a very low dose and did not exhibit any significant signs of toxicity in rodents. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2011.03.020
  • 作为产物:
    参考文献:
    名称:
    Revisiting glitazars: Thiophene substituted oxazole containing α-ethoxy phenylpropanoic acid derivatives as highly potent PPARα/γ dual agonists devoid of adverse effects in rodents
    摘要:
    In an effort to develop safe and efficacious compounds for the treatment of metabolic disorders, novel thiophene substituted oxazole containing alpha-alkoxy-phenylpropanoic acid derivatives are designed as highly potent PPAR alpha/gamma dual agonists. These compounds were found to be efficacious at picomolar concentrations. Lead compound 18d has emerged as very potent PPAR alpha/gamma dual agonist demonstrating potent antidiabetic and lipid lowering activity at a very low dose and did not exhibit any significant signs of toxicity in rodents. (C) 2011 Elsevier Ltd. All rights reserved.
    DOI:
    10.1016/j.bmcl.2011.03.020
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文献信息

  • SUBSTITUTED ARYLOXAZOLES AND THEIR USE
    申请人:Nell Peter
    公开号:US20110130377A1
    公开(公告)日:2011-06-02
    The present application relates to novel substituted aryloxazole derivatives, a method for the production thereof, the use thereof for the treatment and/or prophylaxis of diseases and the use thereof for the production of drugs for the treatment and/or prophylaxis of diseases, preferably for the treatment and/or prevention of cardiovascular and metabolic disorders.
    本申请涉及新型取代芳氧唑衍生物,其生产方法,用于治疗和/或预防疾病的用途,以及用于生产用于治疗和/或预防疾病的药物的用途,优选用于治疗和/或预防心血管和代谢紊乱。
  • SUBSTITUIERTE ARYLOXAZOLE UND IHRE VERWENDUNG
    申请人:Bayer Pharma Aktiengesellschaft
    公开号:EP2185550B1
    公开(公告)日:2011-11-02
  • US8440700B2
    申请人:——
    公开号:US8440700B2
    公开(公告)日:2013-05-14
  • US9095582B2
    申请人:——
    公开号:US9095582B2
    公开(公告)日:2015-08-04
  • [DE] SUBSTITUIERTE ARYLOXAZOLE UND IHRE VERWENDUNG<br/>[EN] SUBSTITUTED ARYLOXAZOLES AND THE USE THEREOF<br/>[FR] ARYLOXAZOLES SUBSTITUÉS ET LEUR UTILISATION
    申请人:BAYER HEALTHCARE AG
    公开号:WO2009015776A1
    公开(公告)日:2009-02-05
    Die vorliegende Anmeldung betrifft neue substituierte Aryloxazol-Derivate, Verfahren zu ihrer Herstellung, ihre Verwendung zur Behandlung und/oder Prophylaxe von Krankheiten sowie ihre Verwendung zur Herstellung von Arzneimitteln zur Behandlung und/oder Prophylaxe von Krankheiten, vorzugsweise zur Behandlung und/oder Prävention von kardiovaskulären und Stoffwechsel-Erkrankungen.
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