3-acetyl-4-isopropyl-1-phenoxycarbonyl-1,4-dihydropyridine | 503856-95-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-acetyl-4-isopropyl-1-phenoxycarbonyl-1,4-dihydropyridine
• 英文别名: phenyl 3-acetyl-4-propan-2-yl-4H-pyridine-1-carboxylate
• CAS: 503856-95-9
• 化学式: C₁₇H₁₉NO₃
• 分子量: 285.343
• InChiKey: JMQPIZYYNQVMFO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  二甲基硫 、 3-乙酰基吡啶 、 氯甲酸苯酯 、 异丙基氯化镁 在 碘化亚铜 氯化铵 、 乙酸乙酯 、 Brine 、 Sodium sulfate-III 作用下， 以 四氢呋喃 为溶剂， 反应 3.5h， 以yielded 43.5 g of crude 3-acetyl-4-isopropyl-1-phenoxycarbonyl-1,4-dihydropyridine的产率得到3-acetyl-4-isopropyl-1-phenoxycarbonyl-1,4-dihydropyridine
  参考文献：
  名称：

  3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors

  摘要：

  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。

  公开号：

  US20040267017A1

文献信息

• METHODS AND COMPOSITIONS RELATED TO WRAPPING OF DEHYDRONS
  申请人：Fernandez Ariel

  公开号：US20130131076A1

  公开（公告）日：2013-05-23

  This application describes a novel technology in drug discovery and drug-based imaging/detection: the wrapping technology. This technology is based on identified singularities in the structure of soluble proteins. In contrast with drug-design approaches based on standard structural considerations, the packing of a protein, or more precisely, its dehydron pattern, may be used as a selectivity filter to design small-molecule inhibitors. The wrapping technology described herein is a novel form of rational drug design for avoiding side effects in drug therapy and sharpening the inhibitory impact of drugs on the oncokinome.

  该应用程序描述了一种新型的药物发现和药物成像/检测技术：包覆技术。该技术基于可溶性蛋白质结构中的特异性。与基于标准结构考虑的药物设计方法相比，蛋白质的包装，或更准确地说，其脱水模式，可以用作选择性过滤器来设计小分子抑制剂。在此描述的包覆技术是一种新型的理性药物设计形式，可避免药物治疗的副作用，并增强药物对肿瘤蛋白组的抑制作用。
• 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
• US8466154B2
  申请人：——

  公开号：US8466154B2

  公开（公告）日：2013-06-18
• [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.
• [EN] SUBSTITUTED 3-PYRIDYL PYRIMIDINES AS C17,20 LYASE INHIBITORS<br/>[FR] INHIBITEURS DE LYASE C17,20 A BASE DE 3-PYRIDYLE-PYRIMIDINE SUBSTITUEE
  申请人：BAYER AG

  公开号：WO2003027100A1

  公开（公告）日：2003-04-03

  The invention provides novel substituted 3-pyridyl pyrimidines and pharmaceutical compositions thereof. The invention also provides methods of use of substituted 3-pyridyl pyrimidines and pharmaceutical compositions thereof as inhibitors of lyases, e.g., the 17a-hydroxylase-C17,20 enzyme. The invention further provides methods for the treatment of cancer in a subject, comprising administering a substituted 3-pyridyl pyrimidines or a pharmaceutical composition comprising a substituted 3-pyridyl pyrimidines to a subject. The cancer can be, e.g., prostate cancer or breast cancer.