1,1,1,3,3,3-Hexafluoro-2-{2-[(pyridin-4-ylmethyl)amino]-1,3-thiazol-5-yl}propan-2-ol | 444342-44-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1,1,3,3,3-Hexafluoro-2-{2-[(pyridin-4-ylmethyl)amino]-1,3-thiazol-5-yl}propan-2-ol
• 英文别名: 1,1,1,3,3,3-hexafluoro-2-[2-(pyridin-4-ylmethylamino)-1,3-thiazol-5-yl]propan-2-ol
• CAS: 444342-44-3
• 化学式: C₁₂H₉F₆N₃OS
• 分子量: 357.279
• InChiKey: BRVNBHMBBIEJFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  86.3
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  1,1,1,3,3,3-Hexafluoro-2-{2-[(pyridin-4-ylmethyl)amino]-1,3-thiazol-5-yl}propan-2-ol 、 異菸鹼[酸]酐 在 乙酸乙酯 、 水 、 magnesium sulfate 、 hexanes 作用下， 以 1,4-二氧六环 为溶剂， 反应 2.0h， 以to afford the title compound as a light yellow solid (528 mg)的产率得到N-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)thiazol-2-yl)-N-(pyridin-4-ylmethyl)isonicotinamide
  参考文献：
  名称：

  Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators

  摘要：

  本发明涉及新型化合物（I），它们的前药以及药学上可接受的盐，以及包含这些化合物的药物组合物，在治疗某些代谢性疾病和通过抑制麦芽酰辅酶A脱羧酶（麦芽酰辅酶CoA脱羧酶，MCD）酶调节的疾病方面有用。特别是，本发明涉及化合物和组合物以及通过抑制麦芽酰辅酶A脱羧酶预防、管理和治疗心血管疾病、糖尿病、酸中毒、癌症和肥胖症的方法。

  公开号：

  US07524969B2
• 作为产物：
  描述：

  [1-Pyridin-4-yl-meth-(Z)-ylidene]-thiazol-2-yl-amine 在 sodium tetrahydroborate 作用下， 以 甲醇 、 甲苯 为溶剂， 生成 1,1,1,3,3,3-Hexafluoro-2-{2-[(pyridin-4-ylmethyl)amino]-1,3-thiazol-5-yl}propan-2-ol
  参考文献：
  名称：

  Heteroaryl substituted bis-trifluoromethyl carbinols as malonyl-CoA decarboxylase inhibitors

  摘要：

  A series of heteroaryl-substituted bis-trifluoromethyl carbinols were prepared and evaluated as malonyl-CoA decarboxylase (MCD) inhibitors. Some thiazole-based derivatives showed potent in vitro MCD inhibitory activities and significantly increased glucose oxidation rates in isolated working rat hearts. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.03.100

文献信息

• Malonyl-coa decarboxylase inhibitors useful as metabolic modulators
  申请人：——

  公开号：US20040082576A1

  公开（公告）日：2004-04-29

  The present invention relates to novel compounds (I), their prodrugs, and the pharmaceutically acceptable salts as well as pharmaceutical compositions containing such compounds useful in treating certain metabolic diseases and diseases modulated by the inhibition of the enzyme malonyl-coenzyme A decarboxylase (malonyl-CoA decarboxylase, MCD). In particular, the invention relates to compounds and compositions and the methods for the prophylaxis, management and treatment of cardiovascular diseases, diabetes, acidosis, cancers, and obesity through the inhibition of malonyl-coenzyme A decarboxylase.

  本发明涉及新颖化合物（I）、它们的前药以及药学上可接受的盐，以及含有这种化合物的制药组合物，用于治疗某些代谢疾病和受酰辅酶A丙酮酸羧化酶（丙酮酸辅酶A羧化酶，MCD）抑制调节的疾病。具体而言，本发明涉及化合物和组合物以及通过抑制受酰辅酶A丙酮酸羧化酶的方法预防、管理和治疗心血管疾病、糖尿病、酸中毒、癌症和肥胖症。
• Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators
  申请人：Arrhenius Thomas

  公开号：US20100016259A1

  公开（公告）日：2010-01-21

  The present invention relates to novel compounds (I), their prodrugs, and the pharmaceutically acceptable salts as well as pharmaceutical compositions containing such compounds useful in treating certain metabolic diseases and diseases modulated by the inhibition of the enzyme malonyl-coenzyme A decarboxylase (malonyl-CoA decarboxylase, MCD). In particular, the invention relates to compounds and compositions and the methods for the prophylaxis, management and treatment of cardiovascular diseases, diabetes, acidosis, cancers, and obesity through the inhibition of malonyl-coenzyme A decarboxylase.

  本发明涉及新型化合物(I)及其前药，以及药学上可接受的盐和含有这种化合物的制剂。这些化合物在治疗某些代谢性疾病和受酰辅酶A丙酮酸羧化酶(malonyl-CoA decarboxylase，MCD)抑制调节的疾病方面有用。具体而言，本发明涉及化合物和制剂以及通过抑制受酰辅酶A丙酮酸羧化酶的预防、管理和治疗心血管疾病、糖尿病、酸中毒、癌症和肥胖症的方法。
• Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：US07524969B2

  公开（公告）日：2009-04-28

  The present invention relates to novel compounds (I), their prodrugs, and the pharmaceutically acceptable salts as well as pharmaceutical compositions containing such compounds useful in treating certain metabolic diseases and diseases modulated by the inhibition of the enzyme malonyl-coenzyme A decarboxylase (malonyl-CoA decarboxylase, MCD). In particular, the invention relates to compounds and compositions and the methods for the prophylaxis, management and treatment of cardiovascular diseases, diabetes, acidosis, cancers, and obesity through the inhibition of malonyl-coenzyme A decarboxylase.

  本发明涉及新型化合物（I），它们的前药以及药学上可接受的盐，以及包含这些化合物的药物组合物，在治疗某些代谢性疾病和通过抑制麦芽酰辅酶A脱羧酶（麦芽酰辅酶CoA脱羧酶，MCD）酶调节的疾病方面有用。特别是，本发明涉及化合物和组合物以及通过抑制麦芽酰辅酶A脱羧酶预防、管理和治疗心血管疾病、糖尿病、酸中毒、癌症和肥胖症的方法。
• MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1411929B1

  公开（公告）日：2011-05-11
• US7524969B2
  申请人：——

  公开号：US7524969B2

  公开（公告）日：2009-04-28