异喹啉-4-硫代羧酸酰胺 | 435271-32-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 异喹啉类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 异喹啉-4-硫代羧酸酰胺
• 中文别名: 异喹啉-4-硫代羧酰胺
• 英文名称: Isoquinoline-4-thiocarboxamide
• 英文别名: Isoquinoline-4-carbothioamide
• CAS: 435271-32-2
• 化学式: C₁₀H₈N₂S
• 分子量: 188.253
• InChiKey: SUWLHYGPNPIKPI-UHFFFAOYSA-N

物化性质

• 沸点：
  391.3±34.0 °C(Predicted)
• 密度：
  1.313±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  71
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors
  申请人：——

  公开号：US20040267017A1

  公开（公告）日：2004-12-30

  The invention provides novel thiazoles bearing 3-pyridyl or 4-isoquinilinyl substituents, and pharmaceutical compositions thereof. The invention also provides methods of using compounds of the invention and pharmaceutical compositions thereof as inhibitors of lyases, e.g., the 17a-hydroxylase-C17,20 enzyme. The invention further provides methods for treating cancer in a subject, comprising administering to the subject a compound of the invention or a pharmaceutical composition thereof. The cancer can be, e.g., prostate cancer or breast cancer.

  本发明提供了一种带有3-吡啶基或4-异喹啉基取代基的新型噻唑，并提供了其制药组合物。本发明还提供了使用本发明化合物和制药组合物作为裂解酶抑制剂（例如17a-羟基酶-C17,20酶）的方法。本发明还提供了治疗患者癌症的方法，包括向患者投药本发明化合物或制药组合物。癌症可以是前列腺癌或乳腺癌等。
• 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS
  申请人：Bayer Pharmaceuticals Corporation

  公开号：EP1432706A2

  公开（公告）日：2004-06-30
• US4382932A
  申请人：——

  公开号：US4382932A

  公开（公告）日：1983-05-10
• US4396619A
  申请人：——

  公开号：US4396619A

  公开（公告）日：1983-08-02
• [EN] 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS<br/>[FR] THIAZOLES 3-PYRIDYLE OU 4-ISOQUINOLINYLE UTILISES COMME INHIBITEURS DE LYASE C17,20
  申请人：BAYER AG

  公开号：WO2003027085A2

  公开（公告）日：2003-04-03

  The invention provides novel thiazoles bearing 3-pyridyl or 4-isoquinilinyl substituents, and pharmaceutical compositions thereof. The invention also provides methods of using compounds of the invention and pharmaceutical compositions thereof as inhibitors of lyases, e.g., the 17a-hydroxylase-C17,20 enzyme. The invention further provides methods for treating cancer in a subject, comprising administering to the subject a compound of the invention or a pharmaceutical composition thereof. The cancer can be, e.g., prostate cancer or breast cancer.