(3,3-difluoropiperidin-1-yl)acetonitrile | 1893257-09-4

• 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: (3,3-difluoropiperidin-1-yl)acetonitrile
• 英文别名: 2-(3,3-difluoropiperidin-1-yl)acetonitrile
• CAS: 1893257-09-4
• 化学式: C₇H₁₀F₂N₂
• 分子量: 160.167
• InChiKey: DJGMLKYXGRBVBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  27
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (3,3-difluoropiperidin-1-yl)acetonitrile 在 lithium aluminium tetrahydride 、 N,N-二异丙基乙胺 、 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 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 N-(2-(3,3-difluoropiperidin-1-yl)ethyl)-6-methyl-5-((1-methyl-6-(pyrimidin-5-ylamino)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)amino)nicotinamide
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS
  [FR] PYRAZOLOPYRIMIDINES ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE PDGFR

  摘要：

  The disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprising compounds of formula (I), as well as methods of their use and preparation, are also described.

  公开号：

  WO2023007009A1
• 作为产物：
  描述：

  3,3-二氟哌啶 、 溴乙腈 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以61 %的产率得到(3,3-difluoropiperidin-1-yl)acetonitrile
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIMIDINES AND THEIR USES AS PDGFR INHIBITORS
  [FR] PYRAZOLOPYRIMIDINES ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE PDGFR

  摘要：

  The disclosure is directed to compounds of formula (I) and pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprising compounds of formula (I), as well as methods of their use and preparation, are also described.

  公开号：

  WO2023007009A1

文献信息

• [EN] PYRAZOLOTHIAZOLE CARBOXAMIDES AND THEIR USES AS PDGFR INHIBITORS<br/>[FR] PYRAZOLOTHIAZOLE CARBOXAMIDES ET LEURS UTILISATIONS EN TANT QU'INHIBITEURS DE PDGFR
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2022136509A1

  公开（公告）日：2022-06-30

  The disclosure is directed to compounds of formula (I),and pharmaceutically acceptable salts thereof. Pharmaceutical compositions comprising compounds of formula (I), as well as methods of their use and preparation, are also described.

  本公开涉及式(I)的化合物及其药学上可接受的盐。还描述了包含式(I)化合物的制药组合物，以及它们的使用和制备方法。
• AMIDO-SUBSTITUTED AZOLE COMPOUNDS
  申请人：Bayer Pharma Aktiengesellschaft

  公开号：EP3126337A2

  公开（公告）日：2017-02-08
• HETEROCYCLIC P2X7 ANTAGONISTS
  申请人：AXXAM S.P.A.

  公开号：US20200055831A1

  公开（公告）日：2020-02-20

  Disclosed are compounds of formula (I) or a pharmaceutically acceptable salt thereof, pharmaceutical compositions containing them, and to a process for the preparation of the compounds: R 1 is independently selected from hydrogen atom, amine group, monocyclic or bicyclic aliphatic, aromatic, heteroaliphatic or heteroaromatic ring. R 2 is independently selected from monocyclic or bicylic aliphatic, heteroaliphatic, aromatic or heteroaromatic ring, C 1 -C 6 alkyl, alkenyl or alkynyl chain. n is 1 or 2; preferably n is 1. m is 0, 1 or 2; preferably m is 0. R 3 and R 4 can be, independently, —H, —F, C 1 -C 4 alkyl, —OH, —OC 1 -C 4 alkyl; preferably they are both —H. X is O or S. R 5 is —H or —CH 3 optionally substituted by one or more fluorine atoms; preferably R 5 is hydrogen. The compounds can be used in the treatment of conditions or diseases mediated by P2X7 receptor.
• US9884063B2
  申请人：——

  公开号：US9884063B2

  公开（公告）日：2018-02-06
• [EN] AMIDO-SUBSTITUTED AZOLE COMPOUNDS<br/>[FR] COMPOSÉS AZOLE AMIDO-SUBSTITUÉS
  申请人：BAYER PHARMA AG

  公开号：WO2015150449A2

  公开（公告）日：2015-10-08

  The present invention relates to amido-substituted azole compounds of general formula (I), in which X1, X2, R1, R2, R4, R5, R7 and R8 are as defined in the claims which are inhibitors of TNKS1 and/or TNKS2, to methods of preparing said compounds, to intermediate compounds useful for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of neoplasms, as a sole agent or in combination with other active ingredients.