4-carbamoyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester | 918431-92-2

• 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: 4-carbamoyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester
• 英文别名: tert-butyl 4-carbamoyl-4-fluoropiperidine-1-carboxylate
• CAS: 918431-92-2
• 化学式: C₁₁H₁₉FN₂O₃
• 分子量: 246.282
• InChiKey: MPVTVWRYWAGFTC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  72.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-carbamoyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester 在 吡啶 、 三氟乙酸酐 作用下， 反应 1.0h， 以81%的产率得到4-氰基-4-氟-1-哌啶羧酸1,1-二甲基乙酯
  参考文献：
  名称：

  KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE

  摘要：

  本文披露了新化合物和组合物，以及它们作为药物治疗疾病的应用。还提供了抑制KDM1A的方法，增加γ球蛋白基因表达的方法，以及诱导人类或动物主体中癌细胞分化的方法，用于治疗急性髓性白血病等疾病。

  公开号：

  US20160237043A1
• 作为产物：
  描述：

  N-Boc-4-氟-4-哌啶甲酸乙酯 在 氨 作用下， 以 甲醇 为溶剂， 生成 4-carbamoyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester
  参考文献：
  名称：

  Design, Synthesis, and Evaluation of a Novel 4-Aminomethyl-4-fluoropiperidine as a T-Type Ca²⁺Channel Antagonist

  摘要：

  The novel T-type antagonist (S)-5 has been prepared and evaluated in in vitro and in vivo assays for T-type calcium ion channel activity. Structural modification of the piperidine leads 1 and 2 afforded the fluorinated piperidine (S)-5, a potent and selective antagonist that displayed in vivo CNS efficacy without adverse cardiovascular effects.

  DOI：

  10.1021/jm800419w

文献信息

• KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE
  申请人：Imago Biosciences, Inc.

  公开号：US20160237043A1

  公开（公告）日：2016-08-18

  Disclosed herein are new compounds and compositions and their application as pharmaceuticals for the treatment of diseases. Methods of inhibition of KDM1A, methods of increasing gamma globin gene expression, and methods to induce differentiation of cancer cells in a human or animal subject are also provided for the treatment of diseases such as acute myelogenous leukemia.

  本文披露了新化合物和组合物，以及它们作为药物治疗疾病的应用。还提供了抑制KDM1A的方法，增加γ球蛋白基因表达的方法，以及诱导人类或动物主体中癌细胞分化的方法，用于治疗急性髓性白血病等疾病。
• [EN] PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF<br/>[FR] DÉRIVÉS DE PHÉNYL-HÉTÉROARYLE ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：TRANSTECH PHARMA INC

  公开号：WO2011103091A1

  公开（公告）日：2011-08-25

  The present invention provides phenyl-heteroaryl derivatives of Formula (I) and pharmaceutically acceptable salts thereof. These compounds are useful in the treatment of RAGE-mediated diseases such as Alzheimer's Disease. The present invention further relates to methods for the preparation of compounds of Formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising such compounds, and the use of such compounds and/or pharmaceutical compositions in treating RAGE-mediated diseases.

  本发明提供了式（I）的苯基-杂环芳基衍生物及其药学上可接受的盐。这些化合物在治疗RAGE介导的疾病，如阿尔茨海默病方面是有用的。本发明还涉及制备式（I）化合物及其药学上可接受的盐的方法，包括含有这些化合物的药物组合物，以及在治疗RAGE介导的疾病中使用这些化合物和/或药物组合物的用途。
• [EN] KDM1A INHIBITORS FOR THE TREATMENT OF DISEASE<br/>[FR] INHIBITEURS DE KDM1A POUR LE TRAITEMENT D'UNE MALADIE
  申请人：IMAGO BIOSCIENCES INC

  公开号：WO2016130952A1

  公开（公告）日：2016-08-18

  Disclosed herein are new compounds and compositions and their application as pharmaceuticals for the treatment of diseases. Methods of inhibition of KDM1A, methods of increasing gamma globin gene expression, and methods to induce differentiation of cancer cells in a human or animal subject are also provided for the treatment of diseases such as acute myelogenous leukemia.

  本文揭示了新的化合物和组合物及其作为药物治疗疾病的应用。还提供了抑制KDM1A的方法，增加γ球蛋白基因表达的方法，以及在人或动物主体中诱导癌细胞分化的方法，用于治疗急性髓系白血病等疾病。
• 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists
  申请人：Barrow James C.

  公开号：US20100216841A1

  公开（公告）日：2010-08-26

  The present invention is directed to 4-fluoro-piperidine compounds which are antagonists of T-type calcium channels, and which are useful in the treatment or prevention of neurological and psychiatric disorders and diseases in which T-type calcium channels are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which T-type calcium channels are involved.

  本发明涉及4-氟哌啶化合物，其是T型钙通道的拮抗剂，并且在治疗或预防涉及T型钙通道的神经和精神障碍和疾病方面具有用途。本发明还涉及包含这些化合物的药物组合物以及在预防或治疗涉及T型钙通道的这种疾病方面使用这些化合物和组合物。
• PHENYL-HETEROARYL DERIVATIVES AND METHODS OF USE THEREOF
  申请人：Gohimukkula Devi R.

  公开号：US20110230458A1

  公开（公告）日：2011-09-22

  The present invention provides phenyl-heteroaryl derivatives of Formula (I) and pharmaceutically acceptable salts thereof These compounds are useful in the treatment of RAGE-mediated diseases such as Alzheimer's Disease. The present invention further relates to methods for the preparation of compounds of Formula (I) and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising such compounds, and the use of such compounds and/or pharmaceutical compositions in treating RAGE-mediated diseases.

  本发明提供了式（I）的苯基-杂环取代衍生物及其药学上可接受的盐。这些化合物在治疗RAGE介导的疾病，如阿尔茨海默病中是有用的。本发明还涉及制备式（I）化合物及其药学上可接受的盐的方法，包括这些化合物的制药组合物，以及在治疗RAGE介导的疾病时使用这些化合物和/或制药组合物。