3-Brom-bicyclo<3.2.1>octanon-(2) | 39974-18-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Brom-bicyclo<3.2.1>octanon-(2)
• 英文别名: 3-Brom-bicyclo<3.2.1>octan-2-on；3-bromo-bicyclo[3.2.1]octan-2-one；3-Bromobicyclo[3.2.1]octan-2-one
• CAS: 39974-18-0
• 化学式: C₈H₁₁BrO
• 分子量: 203.079
• InChiKey: LMHRZHQIWHLQCY-UHFFFAOYSA-N

物化性质

• 沸点：
  253.3±23.0 °C(Predicted)
• 密度：
  1.517±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  亚乙基硫脲 、 3-Brom-bicyclo<3.2.1>octanon-(2) 以 乙醇 为溶剂， 反应 18.0h， 生成 2,3,6,7,8,9-hexahydro-5H-5,8-methano-cyclohepta[d]imidazo[2,1-b]thiazole
  参考文献：
  名称：

  Arya,V.P.; Shenoy,S.J., Indian Journal of Chemistry, 1972, vol. 10, p. 815 - 819

  摘要：

  DOI：

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
• [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.