3-氟-4-哌啶酮 | 1070955-78-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 3-氟-4-哌啶酮
• 英文名称: 3-fluoropiperidin-4-one
• CAS: 1070955-78-0
• 化学式: C₅H₈FNO
• 分子量: 117.123
• InChiKey: GYCGAPQMEYPDIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  172℃
• 密度：
  1.13
• 闪点：
  58℃

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-氟-4-哌啶酮 在 吡啶 、 三乙酰氧基硼氢化钠 、 溶剂黄146 作用下， 以 二氯甲烷 为溶剂， 反应 25.0h， 生成 (9H-fluoren-9-yl)methyl-4-[(chlorocarbonyl)[(4-fluorophenyl)methyl]amino]-3-fluoropiperidine-1-carboxylate
  参考文献：
  名称：

  [EN] COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES
  [FR] COMPOSÉS, SELS ASSOCIÉS ET MÉTHODES DE TRAITEMENT DE MALADIES

  摘要：

  公开号：

  WO2019040104A3
• 作为产物：
  描述：

  3-氟-4-氧代哌啶-1-甲酸叔丁酯 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 3-氟-4-哌啶酮
  参考文献：
  名称：

  [EN] COMPOUNDS, SALTS THEREOF AND THEIR USE FOR THE TREATMENT OF DISEASES
  [FR] COMPOSÉS, SELS ASSOCIÉS ET MÉTHODES DE TRAITEMENT DE MALADIES

  摘要：

  公开号：

  WO2019040104A3

文献信息

• [EN] PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE PROTÉINE KINASE C ET LEURS PROCÉDÉS D'UTILISATION
  申请人：NOVARTIS AG

  公开号：WO2016020864A1

  公开（公告）日：2016-02-11

  PKC inhibitors are disclosed. The PKC inhibitors are useful for treating PKC associated diseases, including certain cancers. The PKC inhibitors have improved efficacy at lower dosage amounts to achieve tumor regression, improved potency, PK profile, absorption, gastrointestinal tolerance and kinase selectivity.

  PKC抑制剂已被披露。这些PKC抑制剂对治疗与PKC相关的疾病，包括某些癌症，非常有用。这些PKC抑制剂在更低剂量下具有改善的疗效，可实现肿瘤的退化，提高了效力、PK特性、吸收、胃肠耐受性和激酶选择性。
• SULFONAMIDE COMPOUNDS
  申请人：Miller-Moslin Karen

  公开号：US20120165298A1

  公开（公告）日：2012-06-28

  The present invention includes novel compound and methods of treating a disease or disorder by antagonizing Bcl-2 family proteins, particularly compounds of formula (I): or pharmaceutically acceptable salt thereof, as well as methods of treating a disease, disorder, or syndrome associated with Bcl-2 inhibition, particularly hyperproliferative diseases. The present invention also includes pharmaceutical compositions including compounds of formula I and pharmaceutically acceptable salts thereof.

  本发明涉及一种新型化合物和通过拮抗Bcl-2家族蛋白治疗疾病或障碍的方法，特别是公式(I)的化合物或其药学上可接受的盐，以及治疗与Bcl-2抑制相关的疾病、障碍或综合症的方法，特别是过度增殖性疾病。本发明还包括包含公式I的化合物和其药学上可接受的盐的制药组合物。
• Sulfonamides as inhibitors of Bcl-2 family proteins for the treatments of cancer
  申请人：Miller-Moslin Karen

  公开号：US08809352B2

  公开（公告）日：2014-08-19

  The present invention includes novel compound and methods of treating a disease or disorder by antagonizing Bcl-2 family proteins, particularly compounds of formula (I): or pharmaceutically acceptable salt thereof, as well as methods of treating a disease, disorder, or syndrome associated with Bcl-2 inhibition, particularly hyperproliferative diseases. The present invention also includes pharmaceutical compositions including compounds of formula I and pharmaceutically acceptable salts thereof.

  本发明涉及新型化合物及其通过拮抗Bcl-2家族蛋白治疗疾病或疾病的方法，特别是公式(I)的化合物或其药学上可接受的盐，以及治疗与Bcl-2抑制相关的疾病、疾病或综合征的方法，特别是增殖过度性疾病。本发明还包括包括公式I的化合物及其药学上可接受的盐的制药组合物。
• PROTEIN KINASE C INHIBITORS AND METHODS OF THEIR USE
  申请人：VISSER Michael Scott

  公开号：US20160046605A1

  公开（公告）日：2016-02-18

  PKC inhibitors are disclosed. The PKC inhibitors are useful for treating PKC associated diseases, including certain cancers. The PKC inhibitors have improved efficacy at lower dosage amounts to achieve tumor regression, improved potency, PK profile, absorption, gastrointestinal tolerance and kinase selectivity.

  本文披露了PKC抑制剂。这些PKC抑制剂可用于治疗PKC相关疾病，包括某些癌症。这些PKC抑制剂在更低剂量下具有改进的疗效，可实现肿瘤回归，改善了药效、PK剖面、吸收、胃肠耐受性和激酶选择性。
• Second basic pKa: An overlooked parameter in predicting phospholipidosis-inducing potential of diamines
  作者：Hiroki Sakai、Hidekazu Inoue、Kenji Murata、Tetsuya Toba、Naohiro Takemoto、Takahiro Matsumoto、Takeo Kawabata

  DOI：10.1016/j.bmcl.2019.126933

  日期：2020.5

  In this paper, we present the phospholipidosis-inducing potential (PLIP) of forty fragment-sized diamines derived from N-benzyl-4-(methylamino)piperidine and discuss the relationship between their PLIP and the physicochemical properties. Our results demonstrate that the previously reported methods are not suitable for predicting the PLIP of fragment-sized diamines; the second basic pKa can distinguish PLIP-positive diamines from PLIP-negative diamines more accurately than ClogP or most basic pKa. To the best of our knowledge, this is the first report describing the relationship between PLIP and second basic pKa.