1-嘧啶-2-哌啶基-4-酮 | 116247-92-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 1-嘧啶-2-哌啶基-4-酮
• 中文别名: 1-(嘧啶-2基)哌啶-4-酮
• 英文名称: 1-(pyrimidin-2-yl)piperidin-4-one
• 英文别名: 1-(2-Pyrimidinyl)-4-piperidinone；1-Pyrimidin-2-yl-piperidin-4-one；1-pyrimidin-2-ylpiperidin-4-one
• CAS: 116247-92-8
• 化学式: C₉H₁₁N₃O
• mdl: MFCD00231572
• 分子量: 177.206
• InChiKey: ORFPLVFPQNNBST-UHFFFAOYSA-N

物化性质

• 熔点：
  73-75°C
• 沸点：
  366.8±52.0 °C(Predicted)
• 密度：
  1.225±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.444
• 拓扑面积：
  46.1
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 危险类别码：
  R22
• 海关编码：
  2933990090
• 危险类别：
  IRRITANT
• 储存条件：
  室温且干燥环境下使用。

反应信息

• 作为反应物：
  描述：

  1-嘧啶-2-哌啶基-4-酮 在 sodium tetrahydroborate 、 水 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 反应 0.17h， 以100%的产率得到1-嘧啶-2-哌啶-4-醇
  参考文献：
  名称：

  WO2008/67121

  摘要：

  公开号：
• 作为产物：
  描述：

  4-哌啶酮缩乙二醇 在 盐酸 、 palladium diacetate 、 sodium t-butanolate 、 2-二环己基磷-2,4,6-三异丙基联苯 作用下， 以 四氢呋喃 、 水 、 甲苯 、 叔丁醇 为溶剂， 反应 8.25h， 生成 1-嘧啶-2-哌啶基-4-酮
  参考文献：
  名称：

  Discovery of cycloalkyl-fused N-thiazol-2-yl-benzamides as tissue non-specific glucokinase activators: Design, synthesis, and biological evaluation

  摘要：

  Glucokinase (GK) activators are being developed for the treatment of type 2 diabetes mellitus (T2DM). However, existing GK activators have risks of hypoglycemia caused by over-activation of GK in islet cells and dyslipidemia caused by over-activation of intrahepatic GK. In the effort to mitigate risks of hypoglycemia and dyslipidemia while maintaining the promising efficacy of GK activator, we investigated a series of cycloalkyl-fused N-thiazol-2-yl-benzamides as tissue non-specific partial GK activators, which led to the identification of compound 72 that showed a good balance between in vitro potency and enzyme kinetic parameters, and protected beta-cells from streptozotocin-induced apoptosis. Chronic treatment of compound 72 demonstrated its potent activity in regulation of glucose homeostasis and low risk of dyslipidemia with diabetic db/db mice in oral glucose tolerance test (OGTT). Moreover, acute treatment of compound 72 did not induce hypoglycemia in C57BL/6J mice even at 200 mg/kg via oral administration. (C) 2017 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2017.07.051

文献信息

• [EN] PYRIMIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSÉS DE PYRIMIDINE, COMPOSITIONS ET PROCÉDÉS D'UTILISATION
  申请人：GENENTECH INC

  公开号：WO2010014939A1

  公开（公告）日：2010-02-04

  Disclosed are compounds of Formula I, including steroisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, that are useful in modulating PIKK related kinase signaling, e.g., mTOR, and for the treatment of diseases (e.g., cancer) that are mediated at least in part by the dysregulation of the PIKK signaling pathway (e.g., mTOR).

  揭示了公式I的化合物，包括立体异构体、几何异构体、互变异构体、溶剂合物、代谢物和其药学上可接受的盐，这些化合物在调节PIKK相关激酶信号传导方面很有用，例如mTOR，并用于治疗至少部分由PIKK信号传导途径失调引起的疾病（例如癌症）。
• [EN] COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS<br/>[FR] COMPOSÉS ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES ASSOCIÉS AU RÉCEPTEUR H3 DE L'HISTAMINE
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2013027001A1

  公开（公告）日：2013-02-28

  The present invention provides compounds of formula (1) and pharmaceutically acceptable salts thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R10, R11, R12, R13, R14, R15, R16, R17, R18, R19, R20, m, n, p, q, Q1, Q2, Q3, Q4, Q5, Q6, X1, X2, X3, X4, A1 and L1, are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them and their use in therapy.

  本发明提供了式（1）的化合物及其药学上可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R10、R11、R12、R13、R14、R15、R16、R17、R18、R19、R20、m、n、p、q、Q1、Q2、Q3、Q4、Q5、Q6、X1、X2、X3、X4、A1和L1如规范中所定义，其制备方法，含有它们的药物组合物以及它们在治疗中的用途。
• Compounds useful as reversible inhibitors of cysteine proteases
  申请人：——

  公开号：US20020058809A1

  公开（公告）日：2002-05-16

  Disclosed are novel cathepsin S, K, F, L and B reversible inhibitory compounds of the formulas (I), (II), (Ia) and (Ib) further defined herein. The compounds are useful for treating autoimmune diseases. Also disclosed are processes for making such novel compounds. 1

  揭示了新型的cathepsin S、K、F、L和B可逆抑制化合物的化学式(I)、(II)、(Ia)和(Ib)，进一步在此处进行了定义。这些化合物可用于治疗自身免疫性疾病。还公开了制备这种新型化合物的方法。
• Multicyclic compounds and methods of their use
  申请人：Barbosa Joseph

  公开号：US20060258672A1

  公开（公告）日：2006-11-16

  This invention relates to multicyclic compounds, pharmaceutical compositions comprising them, and methods of their use in, for example, the treatment of cognitive disorders.

  这项发明涉及多环化合物，包括它们的药物组合物，以及它们在治疗认知障碍等方面的使用方法。
• [EN] THIENOPYRIMIDINE AS CDC7 KINASE INHIBITORS<br/>[FR] THIÉNOPYRIMIDINES EN TANT QU'INHIBITEURS DE LA KINASE CDC7
  申请人：TAKEDA PHARMACEUTICAL

  公开号：WO2010101302A1

  公开（公告）日：2010-09-10

  The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof, or a prodrug thereof, which is useful for the prophylaxis or treatment of cancer.

  本发明涉及一种由式(I)表示的化合物，其中每个符号如规范中定义，或其盐，或其前药，用于预防或治疗癌症。