7-溴-5-(4-甲基苯磺酰基)-5H-吡咯并[2,3-b]吡嗪 | 1818847-41-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 7-溴-5-(4-甲基苯磺酰基)-5H-吡咯并[2,3-b]吡嗪
• 英文名称: 7-Bromo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine
• 英文别名: 7-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
• CAS: 1818847-41-4
• 化学式: C₁₃H₁₀BrN₃O₂S
• 分子量: 352.21
• InChiKey: RZIHFWIVUHARMG-UHFFFAOYSA-N

物化性质

• 沸点：
  525.9±60.0 °C(Predicted)
• 密度：
  1.68±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  73.2
• 氢给体数：
  0
• 氢受体数：
  4

文献信息

• [EN] MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE SIGNALISATION HEDGEHOG (HH)
  申请人：E THERAPEUTICS PLC

  公开号：WO2018078360A1

  公开（公告）日：2018-05-03

  There are described compounds of formula (I): and there use as a medicament in the treatment of conditions involving abnormal activation and/or malfunction of the of the hedgehog pathway, such as cancer, fibrosis and chronic graft-versus-host disease (cGVHD).

  描述了化合物的结构式(I)：以及它们在治疗涉及Hedgehog通路异常激活和/或功能失调的疾病中的用途，如癌症、纤维化和慢性移植物抗宿主病（cGVHD）的药物。
• Modulators of hedgehog (Hh) signaling pathway
  申请人：E-THERAPEUTICS PLC

  公开号：US10961238B2

  公开（公告）日：2021-03-30

  There are described compounds of formula (I): and there use as a medicament in the treatment of conditions involving abnormal activation and/or malfunction of the of the hedgehog pathway, such as cancer, fibrosis and chronic graft-versus-host disease (cGVHD).

  所述的式 (I) 化合物可作为药物用于治疗涉及刺猬通路异常激活和/或功能失调的疾病，如癌症、纤维化和慢性移植物抗宿主病 (cGVHD)。
• MODULATORS OF HEDGEHOG (HH) SIGNALLING PATHWAY
  申请人：E-THERAPEUTICS PLC

  公开号：US20200055847A1

  公开（公告）日：2020-02-20

  There are described compounds of formula (I): and there use as a medicament in the treatment of conditions involving abnormal activation and/or malfunction of the of the hedgehog pathway, such as cancer, fibrosis and chronic graft-versus-host disease (cGVHD).