Butyl 6-[4-[4,5-dimethyl-6-(4-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate | 1204974-20-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: Butyl 6-[4-[4,5-dimethyl-6-(4-propan-2-ylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-(trifluoromethyl)pyridine-3-carboxylate
• CAS: 1204974-20-8
• 化学式: C₃₀H₃₆F₃N₅O₂
• 分子量: 555.643
• InChiKey: BRDQCZVOORYBQS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  10

文献信息

• Organic Compounds as Smo Inhibitors
  申请人：HE Feng

  公开号：US20100041663A1

  公开（公告）日：2010-02-18

  The present invention relates generally to novel compounds relating to the diagnosis and treatment of pathologies relating to the Hedgehog pathway, including but not limited to tumor formation, cancer, neoplasia, and non-malignant hyperproliferative disorders. The present invention includes novel compounds, novel compositions, methods of their use and methods of their manufacture, where such compounds are generally pharmacologically useful as agents in therapies whose mechanism of action involve methods of inhibiting tumorigenesis, tumor growth and tumor survival using agents that inhibit the Hedgehog and Smo signaling pathway.

  本发明一般涉及与Hedgehog通路相关的病理诊断和治疗的新化合物，包括但不限于肿瘤形成、癌症、肿瘤和非恶性过度增殖性疾病。本发明包括新化合物、新组合物、它们的使用方法和制备方法，这些化合物通常在药理学上作为治疗剂是有用的，其作用机制涉及通过抑制Hedgehog和Smo信号通路的方法来抑制肿瘤发生、肿瘤生长和肿瘤存活。