tert-butyl 4-cyano-4-(pyridin-4-yl)piperidine-1-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-cyano-4-(pyridin-4-yl)piperidine-1-carboxylate
• 英文别名: 1-tert-butoxycarbonyl-4-cyano-4-(pyridin-4-yl)-piperidine；1-Boc-4-cyano-4-(4-pyridinyl)-piperidine；tert-butyl 4-cyano-4-pyridin-4-ylpiperidine-1-carboxylate
• 化学式: C₁₆H₂₁N₃O₂
• 分子量: 287.362
• InChiKey: IZZYWTWQOOWXFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  4

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  N-Boc-4-氰基哌啶	1-tert-butoxycarbonyl-4-cyanopiperidine	91419-52-2	C11H18N2O2	210.276

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-cyano-4-(pyridin-4-yl)piperidine-1-carboxylate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 生成 4-(吡啶-2-基)哌啶-4-甲腈
  参考文献：
  名称：

  Discovery of N-{[1-(propylsulfonyl)-4-pyridin-2-ylpiperidin-4-yl]methyl}benzamides as novel, selective and potent GlyT1 inhibitors

  摘要：

  Employing an iterative analogue library approach, novel potent and selective glycine transporter 1 (GlyT1) inhibitors containing a 4-pyridin-2-ylpiperidine sulfonamide have been discovered. These inhibitors are devoid of time-dependent CYP inhibition activity and exhibit improved aqueous solubility versus the corresponding 4-phenylpiperidine analogues. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.12.115
• 作为产物：
  描述：

  4-氯吡啶 、 N-Boc-4-氰基哌啶 在 lithium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 36.0h， 以92%的产率得到tert-butyl 4-cyano-4-(pyridin-4-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  Preparation of 4-heteroaryl-4-cyanopiperidines via SNAr substitution reactions

  摘要：

  The scope and limitations of SNAr substitution reactions of metalated 4-cyanopiperidines with heterocyclic halides were explored. These facile reactions provide rapid access to a wide range of 4-heteroaryl-4-cyanopiperidines and have resulted in improved yields, faster reaction times, and lower temperatures than previously published synthetic methods. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2009.08.123

文献信息

• Substituted pyrrolidin-3-yl-alkyl-piperidines
  申请人：Merrell Pharmaceuticals Inc.

  公开号：US05635510A1

  公开（公告）日：1997-06-03

  The present invention relates to substituted pyrrolidinyl-3-yl-alkyl-piperidines, their stereoisomers, and pharmaceutically acceptable salts thereof and processes for preparation of the same. The compounds of the present invention are useful in their pharmacological activities such as tachykinin antagonism, especially substance P and neurokinin A antagonism, and the like. Compounds having the property of tachykinin antagonism are indicated for conditions associated with neurogenic inflammation and other diseases described herein.

  本发明涉及取代吡咯啉基-3-基-烷基-哌啶、其立体异构体和药学上可接受的盐以及其制备方法。本发明的化合物在药理活性方面具有用途，如快速激肽拮抗作用，特别是物质P和神经激肽A的拮抗作用等。具有快速激肽拮抗性质的化合物适用于与神经源性炎症和本文所述的其他疾病相关的情况。
• THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Marinier Anne

  公开号：US20100120770A1

  公开（公告）日：2010-05-13

  The invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I thiazolyl compounds inhibit tyrosine kinase activity thereby making them useful as anticancer agents and for the treatment of Alzheimer's disease.

  该发明提供了I式化合物及其药学上可接受的盐。I式噻唑类化合物抑制酪氨酸激酶活性，因此可用作抗癌剂和治疗阿尔茨海默病的药物。
• Thiazolyl compounds useful as kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：US08343999B2

  公开（公告）日：2013-01-01

  The invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I thiazolyl compounds inhibit tyrosine kinase activity thereby making them useful as anticancer agents and for the treatment of Alzheimer's disease.

  该发明提供了I式化合物及其药学上可接受的盐。I式噻唑化合物抑制酪氨酸激酶活性，因此它们可用作抗癌剂和治疗阿尔茨海默病的药物。
• HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF
  申请人：Zhejiang Hisun Pharmaceutical Co., Ltd.

  公开号：EP4092019A1

  公开（公告）日：2022-11-23

  The present invention relates to heteroaryl derivatives, preparation methods therefor, and applications thereof in medicine. Specifically, the present invention relates to a heteroaryl derivative represented by general formula (AI), a preparation method therefor, and a pharmaceutically acceptable salt, and use thereof as a therapeutic agent, in partucular, as an SHP2 allosteric inhibitor, wherein the definition of substituents in general formula (AI) is the same as that in the description.

  本发明涉及杂环芳基衍生物、其制备方法和在医学上的应用。具体地，本发明涉及一种由通式（AI）表示的杂环芳基衍生物、其制备方法、药学上可接受的盐以及作为治疗剂的用途，特别是作为SHP2变构抑制剂，其中通式（AI）中取代基的定义与描述中相同。
• WO2008/124757
  申请人：——

  公开号：——

  公开（公告）日：——