ethyl 2-fluoro-2-(piperidin-4-yl)acetate | 874440-83-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2-fluoro-2-(piperidin-4-yl)acetate
• 英文别名: Ethyl I+/--fluoro-4-piperidineacetate；ethyl 2-fluoro-2-piperidin-4-ylacetate
• CAS: 874440-83-2
• 化学式: C₉H₁₆FNO₂
• 分子量: 189.23
• InChiKey: VGJHLWRACUHLKO-UHFFFAOYSA-N

物化性质

• 沸点：
  246.0±10.0 °C(Predicted)
• 密度：
  1.051±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-fluoro-2-(piperidin-4-yl)acetate 在 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 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 56.5h， 生成 tert-butyl (1-(4-(5-(2-(1-(cyclopropylsulfonyl)piperidin-4-yl)-2-fluoroacetamido)-3-phenylpyridin-2-yl)phenyl)cyclobutyl)carbamate
  参考文献：
  名称：

  [EN] INHIBITORS OF AKT KINASE
  [FR] COMPOSÉS PHARMACEUTIQUEMENT ACTIFS

  摘要：

  公开号：

  WO2016102672A3
• 作为产物：
  描述：

  benzyl 4-(2-ethoxy-1-fluoro-2-oxoethylidene)piperidine-1-carboxylate 在 palladium 10% on activated carbon 、 氢气 作用下， 以 甲醇 为溶剂， 以87.7 %的产率得到ethyl 2-fluoro-2-(piperidin-4-yl)acetate
  参考文献：
  名称：

  PARP7抑制剂及其用途

  摘要：

  本申请涉及一种聚(腺苷二磷酸‑核糖)聚合酶‑7(PARP7)抑制剂，其包括式(I)的化合物或其药学可接受的盐、氘代化合物、溶剂化物、酯、酸、代谢物或前药。本申请还涉及PARP7抑制剂在选择性地抑制PARP7活性、或治疗或预防由PARP7活性调节的或受其影响的或者其中涉及PARP7活性或过表达的疾病、障碍或病症的用途。

  公开号：

  CN115785074A

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR TRAITER DES ÉTATS PATHOLOGIQUES ASSOCIÉS À L'ACTIVITÉ DE STING
  申请人：IFM DUE INC

  公开号：WO2023018781A1

  公开（公告）日：2023-02-16

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  本公开涉及化学实体（例如，化合物或药学上可接受的盐，水合物，共晶体或化合物的药物组合物），其抑制（例如，拮抗）干扰素基因刺激剂（STING）。所述化学实体是有用的，例如用于治疗在其中增加（例如，过度）STING激活（例如，STING信号传导）对主体（例如，人类）的病理学和/或症状和/或疾病或疾病的进展有贡献的情况，疾病或疾病（例如，癌症）。本公开还涉及包含相同的组合物以及使用和制备相同的方法。
• Pharmaceutically active compounds
  申请人：BERGENBIO ASA

  公开号：US10336702B2

  公开（公告）日：2019-07-02

  The invention is directed to compounds of general formula (I), and pharmaceutical compositions containing such compounds. The compounds and compositions have valuable pharmaceutical properties. In particular, they may be used for the treatment of cancer. Novel intermediates and novel methods of preparation are also disclosed.

  本发明涉及通式（I）化合物和含有此类化合物的药物组合物。这些化合物和组合物具有宝贵的药物特性。特别是，它们可用于治疗癌症。本发明还公开了新型中间体和新型制备方法。
• INHIBITORS OF AKT KINASE
  申请人：BerGenBio ASA

  公开号：EP3240784A2

  公开（公告）日：2017-11-08
• PHARMACEUTICALLY ACTIVE COMPOUNDS
  申请人：BERGENBIO AS

  公开号：US20180029985A1

  公开（公告）日：2018-02-01

  The invention is directed to compounds of general formula (I), and pharmaceutical compositions containing such compounds. The compounds and compositions have valuable pharmaceutical properties. In particular, they may be used for the treatment of cancer. Novel intermediates and novel methods of preparation are also disclosed.
• Pharmaceutically Active Compounds
  申请人：BerGenBio ASA

  公开号：US20210070708A1

  公开（公告）日：2021-03-11

  The invention is directed to compounds of general formula (I) and pharmaceutical compositions containing such compounds. The compounds and compositions have valuable pharmaceutical properties. In particular, they may be used for the treatment of cancer. Novel intermediates and novel methods of preparation are also disclosed.