tert-butyl 3,3,5,5-tetradeutero-4-hydroxypiperidine-1-carboxylate | 1246342-62-0

• 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 3,3,5,5-tetradeutero-4-hydroxypiperidine-1-carboxylate
• 英文别名: tert-butyl 3,3,5,5-tetradeuterio-4-hydroxy-piperidine-1-carboxylate；Tert-butyl 3,3,5,5-tetradeuterio-4-hydroxypiperidine-1-carboxylate；tert-butyl 3,3,5,5-tetradeuterio-4-hydroxypiperidine-1-carboxylate
• CAS: 1246342-62-0
• 化学式: C₁₀H₁₉NO₃
• 分子量: 205.234
• InChiKey: PWQLFIKTGRINFF-CQOLUAMGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 3,3,5,5-tetradeutero-4-hydroxypiperidine-1-carboxylate 在 lithium aluminium tetrahydride 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 二氯甲烷 、 二甲基亚砜 、 N,N-二甲基甲酰胺 为溶剂， 反应 45.0h， 生成 tert-butyl 4-[[(3-chloro-5-fluorobenzoyl)amino]methyl]-3,3,5,5-tetradeuterio-piperidine-1-carboxylate
  参考文献：
  名称：

  [EN] T-TYPE CALCIUM CHANNEL MODULATORS AND METHODS OF USE THEREOF
  [FR] MODULATEURS DE CANAUX CALCIQUES DE TYPE T ET LEURS MÉTHODES D'UTILISATION

  摘要：

  本发明部分涉及氘富集化合物和组合物，其中包括一种对于预防和/或治疗与T型钙通道异常功能相关的疾病或状况有用的氘富集化合物。

  公开号：

  WO2022099207A1
• 作为产物：
  描述：

  tert-butyl 3,3,5,5-tetradeutero-4-oxopiperidine-1-carboxylate 在 甲醇 、 sodium tetrahydroborate 作用下， 反应 4.0h， 以2.5 g的产率得到tert-butyl 3,3,5,5-tetradeutero-4-hydroxypiperidine-1-carboxylate
  参考文献：
  名称：

  取代的氨基喹唑啉类化合物及其药物组合物 及其用途

  摘要：

  本发明提供了一种取代的氨基喹唑啉类化合物及药物组合物及其用途，所述的氨基喹唑啉类化合物如式(I)所示化合物，或其药学上可接受的盐、前药、水合物或溶剂化合物、晶型、立体异构体或同位素变体。本发明化合物和组合物可用于治疗和/或预防ErbB家族酪氨酸激酶介导的疾病。

  公开号：

  CN110054613B

文献信息

• [EN] FLUORO-DERIVATIVES OF PYRAZOLE-SUBSTITUTED AMINO-HETEROARYL COMPOUNDS<br/>[FR] DÉRIVÉS FLUORÉS DE COMPOSÉS AMINO-HÉTÉROARYLE SUBSTITUÉS PAR PYRAZOLE
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2014081816A1

  公开（公告）日：2014-05-30

  This invention relates to novel fluoro-derivatives of pyrazole-substituted amino-heteroaryl compounds of Formula (I):, and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering an inhibitor of anaplastic lymphoma kinase (ALK).

  这项发明涉及公式（I）的新型吡唑取代氨基杂环芳烃化合物的氟衍生物，以及其药学上可接受的盐。该发明还提供了包含该发明化合物的组合物，并将这种组合物用于治疗通过给予间变性淋巴瘤激酶（ALK）抑制剂有益治疗的疾病和症状的方法。
• DERIVATIVES OF PYRAZOLE-SUBSTITUTED AMINO-HETEROARYL COMPOUNDS
  申请人：CONCERT PHARMACEUTICALS, INC.

  公开号：US20140005211A1

  公开（公告）日：2014-01-02

  This invention relates to novel pyrazole-substituted amino-heteroaryl compounds of Formula I: and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering an inhibitor of anaplastic lymphoma kinase (ALK).
• FLUORO-DERIVATIVES OF PYRAZOLE-SUBSTITUTED AMINO-HETEROARYL COMPOUNDS
  申请人：CONCERT PHARMACEUTICALS, INC.

  公开号：US20150299170A1

  公开（公告）日：2015-10-22

  This invention relates to novel fluoro-derivatives of pyrazole-substituted amino-heteroaryl compounds of Formula I: and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering an inhibitor of anaplastic lymphoma kinase (ALK).
• Derivatives of Pyrazole-Substituted Amino-Heteroaryl Compounds
  申请人：Concert Pharmaceuticals, Inc.

  公开号：US20150366853A1

  公开（公告）日：2015-12-24

  This invention relates to novel pyrazole-substituted amino-heteroaryl compounds of Formula I: and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering an inhibitor of anaplastic lymphoma kinase (ALK).
• US9145390B2
  申请人：——

  公开号：US9145390B2

  公开（公告）日：2015-09-29