4-(4-chlorophenyl)-[2-(4-chloropyridin-3-yl)]-1,3-thiazole | 435271-33-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-chlorophenyl)-[2-(4-chloropyridin-3-yl)]-1,3-thiazole
• 英文别名: 4-Chloro-3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine；4-(4-chlorophenyl)-2-(4-chloropyridin-3-yl)-1,3-thiazole
• CAS: 435271-33-3
• 化学式: C₁₄H₈Cl₂N₂S
• 分子量: 307.203
• InChiKey: ZMEMLNQJRMTRCU-UHFFFAOYSA-N

物化性质

• 沸点：
  482.2±55.0 °C(Predicted)
• 密度：
  1.397±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  吗啉 、 4-(4-chlorophenyl)-[2-(4-chloropyridin-3-yl)]-1,3-thiazole 在 sodium iodide 作用下， 反应 6.0h， 以67%的产率得到4-{3-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]pyridine-4-yl}morpholine
  参考文献：
  名称：

  SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF

  摘要：

  公开号：

  EP1348706B1
• 作为产物：
  描述：

  4-氯吡啶 、 2-溴-4-(4-氯苯基)噻唑 在 四(三苯基膦)钯 lithium diisopropyl amide 、 zinc(II) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 30.67h， 以40%的产率得到4-(4-chlorophenyl)-[2-(4-chloropyridin-3-yl)]-1,3-thiazole
  参考文献：
  名称：

  SUBSTITUTED THIAZOLE DERIVATIVES BEARING 3-PYRIDYL GROUPS, PROCESS FOR PREPARING THE SAME AND USE THEREOF

  摘要：

  公开号：

  EP1348706B1

文献信息

• Substituted thiazole derivatives bearing 3-pyridyl groups, process for preparing the same and use thereof
  申请人：——

  公开号：US20040072876A1

  公开（公告）日：2004-04-15

  The present invention provides a pharmaceutical composition having a steroid C 17,20 -lyase inhibitory activity, which is useful as a prophylactic or therapeutic agent of prostatism, tumor such as breast cancer and the like, more particularly, a steroid C 17,20 -lyase inhibitor containing a compound represented by the formula: 1 wherein A 1 is an aromatic hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, one of A 2 and A 3 is a hydrogen atom, a halogen atom, a C 1-4 aliphatic hydrocarbon group optionally having substituents or an optionally esterified carboxyl group, the other of A 2 and A 3 is an aromatic hydrocarbon group optionally having substituents or a heterocyclic group optionally having substituents, and at least one of A 1 , A 2 and A 3 is a 3-pyridyl group optionally having substituents, or a salt thereof or a prodrug thereof.

  本发明提供了一种具有类固醇C17,20-裂解酶抑制活性的药物组合物，其可作为前列腺增生症、乳腺癌等肿瘤的预防或治疗剂，更具体地，是一种含有以下化合物的类固醇C17,20-裂解酶抑制剂：式中，A1为芳香族碳氢基团，可选地具有取代基，或者为杂环基团，可选地具有取代基；A2和A3中的一个为氢原子、卤素原子、C1-4脂肪族碳氢基团，可选地具有取代基，或者为可选酯化的羧基；另一个为芳香族碳氢基团，可选地具有取代基，或者为杂环基团，可选地具有取代基；且A1、A2和A3中至少有一个为可选地具有取代基的3-吡啶基团，或其盐或前药。
• 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
• US7067537B2
  申请人：——

  公开号：US7067537B2

  公开（公告）日：2006-06-27
• [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.