6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-diisobutylnicotinamide | 900802-99-5

• 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: 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-diisobutylnicotinamide
• 英文别名: 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)pyridine-3-carboxamide
• CAS: 900802-99-5
• 化学式: C₁₇H₂₂F₆N₂O₂
• 分子量: 400.364
• InChiKey: FKRHIHKGEICFHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  53.4
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-diisobutylnicotinamide 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以20%的产率得到6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-bis(2-methylpropyl)-1-oxidopyridin-1-ium-3-carboxamide
  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
• 作为产物：
  描述：

  2-溴-5-甲基吡啶 在 sodium hydroxide 、 potassium permanganate 、 正丁基锂 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-N,N-diisobutylnicotinamide
  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

• Heteroaryl substituted bis-trifluoromethyl carbinols as malonyl-CoA decarboxylase inhibitors
  作者：Jie-Fei Cheng、Chi Ching Mak、Yujin Huang、Richard Penuliar、Masahiro Nishimoto、Lin Zhang、Mi Chen、David Wallace、Thomas Arrhenius、Donald Chu、Guang Yang、Miguel Barbosa、Rick Barr、Jason R.B. Dyck、Gary D. Lopaschuk、Alex M. Nadzan

  DOI：10.1016/j.bmcl.2006.03.100

  日期：2006.7

  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.