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2-甲氧基-4-吡啶硫代甲酰胺 | 929972-07-6

中文名称
2-甲氧基-4-吡啶硫代甲酰胺
中文别名
——
英文名称
2-methoxypyridine-4-carbothioamide
英文别名
2-methoxylthioisonicotinamide
2-甲氧基-4-吡啶硫代甲酰胺化学式
CAS
929972-07-6
化学式
C7H8N2OS
mdl
MFCD09040706
分子量
168.219
InChiKey
KUMPRKLCQYVSEP-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

物化性质

  • 沸点:
    303.3±52.0 °C(Predicted)
  • 密度:
    1.262±0.06 g/cm3(Predicted)

计算性质

  • 辛醇/水分配系数(LogP):
    0.8
  • 重原子数:
    11
  • 可旋转键数:
    2
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.142
  • 拓扑面积:
    80.2
  • 氢给体数:
    1
  • 氢受体数:
    3

安全信息

  • 海关编码:
    2933399090

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

反应信息

  • 作为反应物:
    参考文献:
    名称:
    Pyrid-2-one derivatives and methods of use
    摘要:
    所选化合物对于治疗疾病,如细胞增殖或凋亡介导的疾病,具有有效性。该发明涵盖了新颖的化合物、类似物、前药和其药学上可接受的衍生物,以及用于预防和治疗涉及中风、癌症等疾病和其他疾病或病况的药物组合物和方法。该主题发明还涉及制备此类化合物的方法,以及在这些过程中有用的中间体。
    公开号:
    US20040147561A1
  • 作为产物:
    描述:
    2-氯-4-氰基吡啶 在 sodium hydride 、 magnesium chloride 作用下, 以 四氢呋喃N,N-二甲基甲酰胺 为溶剂, 反应 5.33h, 生成 2-甲氧基-4-吡啶硫代甲酰胺
    参考文献:
    名称:
    Diarylthiazole: An Antimycobacterial Scaffold Potentially Targeting PrrB-PrrA Two-Component System
    摘要:
    Diarylthiazole (DAT), a hit from diversity screening, was found to have potent antimycobacterial activity against Mycobacterium tuberculosis (Mtb). In a systematic medicinal chemistry exploration, we demonstrated chemical opportunities to optimize the potency and physicochemical properties. The effort led to more than 10 compounds with submicromolar MICs and desirable physicochemical properties. The potent antimycobacterial activity, in conjunction with low molecular weight, made the series an attractive lead (antibacterial ligand efficiency (ALE)>0.4). The series exhibited excellent bactericidal activity and was active against drug-sensitive and resistant Mtb. Mutational analysis showed that mutations in prrB impart resistance to DAT compounds but not to reference drugs tested. The sensor kinase PrrB belongs to the PrrBA two component system and is potentially the target for DAT. PrrBA is a conserved, essential regulatory mechanism in Mtb and has been shown to have a role in virulence and metabolic adaptation to stress. Hence, DATs provide an opportunity to understand a completely new target system for antimycobacterial drug discovery.
    DOI:
    10.1021/jm500833f
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文献信息

  • 2-OXOPYRIDIN-3-YL THIA(DI)AZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES
    申请人:AMGEN INC.
    公开号:EP1575947A1
    公开(公告)日:2005-09-21
  • [EN] 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES<br/>[FR] DERIVES DE PYRIDE-2-ONE ET PROCEDES D'UTILISATION
    申请人:AMGEN INC
    公开号:WO2004060890A1
    公开(公告)日:2004-07-22
    Compounds of formula I are effective for treatment of diseases, such as cell proliferation or apoptosis mediated diseases. The invention encompasses novel compounds, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involvong stroke, cancer and the like.
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