tert-Butyl 4-[7-{5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]piperidine-1-carboxylate

• 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: tert-Butyl 4-[7-{5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]piperidine-1-carboxylate
• 英文别名: tert-butyl 4-[7-{5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl}-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]piperidine-1-carboxylate；tert-butyl 4-[7-((5-cyclopropylamino)carbonyl-3-fluoro-2-methylphenyl)-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]piperidine-1-carboxylate；tert-butyl 4-[7-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl]piperidine-1-carboxylate
• 化学式: C₂₇H₃₂FN₅O₄
• 分子量: 509.581
• InChiKey: TZMDOKQSVWCOBW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  94.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  tert-Butyl 4-[7-{5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl)-3-oxo[1,2,4]triazolo[4,3-a]pyridin-2(3H)-yl]piperidine-1-carboxylate 在 盐酸 、 水 、 sodium carbonate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 2.0h， 以92%的产率得到N-cyclopropyl-3-fluoro-4-methyl-5-(3-oxo-2-piperidin-4-yl-2,3-dihydro[1,2,4]triazolo[4,3-a]pyridin-7-yl)benzamide
  参考文献：
  名称：

  [EN] NEW 7-PHENYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE DERIVATIVES
  [FR] NOUVEAUX DÉRIVÉS DE 7-PHÉNYL-[1,2,4]TRIAZOLO[4,3-A]PYRIDIN-3(2H)-ONE

  摘要：

  这项发明涉及具有一般式(I)的新p38丝裂原活化蛋白激酶抑制剂，涉及它们的制备方法，包括它们的药物组合物，以及它们在治疗中的应用。

  公开号：

  WO2011057757A1

文献信息

• New 7-phenyl-[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one derivatives
  申请人：Almirall, S.A.

  公开号：EP2322176A1

  公开（公告）日：2011-05-18

  This invention is directed to new inhibitors of the p38 mitogen-activated protein kinase having the general formula (I), to pharmaceutical compositions comprising them, and to their use in therapy.

  这项发明涉及具有一般式(I)的新p38丝裂原活化蛋白激酶抑制剂，以及包含它们的药物组合物，以及它们在治疗中的应用。
• New 7-Phenyl-[1,2,4]triazolo[4,3-a]Pyridin-3(2H)-One Derivatives
  申请人：Bosch José Aiguade

  公开号：US20120225904A1

  公开（公告）日：2012-09-06

  This disclosure is directed to, inter alis, new inhibitors of the p38 mitogen-activated protein kinase having the general formula (I), to processes for their preparation, to pharmaceutical compositions comprising them, and to their use in therapy.

  本公开涉及到的是p38丝裂原活化蛋白激酶的新抑制剂，具有一般式(I)，关于它们的制备方法，包含它们的制药组合物以及它们在治疗中的使用。
• UNSATURATED CHOLINE ANALOGS AND CHEMICAL SYNTHESIS THEREOF
  申请人：Chekmenev Eduard Y.

  公开号：US20120225020A1

  公开（公告）日：2012-09-06

  This disclosure provides choline analogs comprising the following structure: where each R 1 independently is H or isotopically enriched D, R 2 is a protecting group, and N is 14 N or isotopically enriched 15 N. This disclosure also provides methods of making choline analogs, which include performing a protection step on a betaine aldehyde to form a choline analog, and methods of using choline analogs to form hyperpolarized compounds.
• CHOLINE ANALOGS AND CHEMICAL SYNTHESIS THEREOF
  申请人：Vanderbilt University

  公开号：US20130217917A1

  公开（公告）日：2013-08-22

  A method of making a betaine aldehyde, comprising ozonizing an allyl trimethylammonium to form the betaine aldehyde.
• WATER SOLUBLE CATALYSTS FOR NMR/MRI ENHANCEMENT
  申请人：Vanderbilt University

  公开号：US20160045907A1

  公开（公告）日：2016-02-18

  Iridium catalysts for nuclear spin polarization enhancement in solution via signal amplification by reversible exchange are provided. The iridium catalysts can be water-soluble iridium catalysts. Also provided are methods for preparing iridium catalysts, and methods of activating and using iridium catalysts for nuclear spin polarization enhancement in solution via signal amplification by reversible exchange.