N-methyl-β-alanine methylamide; hydrochloride | 57180-63-9

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-methyl-β-alanine methylamide; hydrochloride
• 英文别名: N-Methyl-β-alanin-methylamid; Hydrochlorid；N-Methyl-3-(methylamino)propanamide hydrochloride；N-methyl-3-(methylamino)propanamide;hydrochloride
• CAS: 57180-63-9
• 化学式: C₅H₁₂N₂O*ClH
• 分子量: 152.624
• InChiKey: RTAJXPNNTGBHNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.24
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  41.1
• 氢给体数：
  3
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  (3R)-1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide 、 N-methyl-β-alanine methylamide; hydrochloride 在 N,N-二异丙基乙胺 作用下， 以 N-甲基吡咯烷酮 为溶剂， 以109.79 mg的产率得到(3R)-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-[methyl-[3-(methylamino)-3-oxo-propyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
  参考文献：
  名称：

  [EN] PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF
  [FR] PYRAZOLOPYRIMIDINES, COMPOSITIONS LES COMPRENANT ET LEURS UTILISATIONS

  摘要：

  The present document relates to pyrazolopyrimidine compounds, pharmaceutical compositions comprising the same and their use in the treatment or prevention of diseases and disorders associated with the cannabinoid CB1receptor. For example, the pyrazolopyrimidine compounds, or a tautomeric form and/or salt thereof, are of Formula I: Formula I wherein R1to R4are as defined herein.

  公开号：

  WO2023155004A1

文献信息

• Benzophenone derivatives
  申请人：Cassella Farbwerke Mainkur Aktiengesellschaft

  公开号：US04075409A1

  公开（公告）日：1978-02-21

  The present invention relates to pharmacologically valuable new benzophenone derivatives having a pronounced sedative action on the central nervous system and some of which also possess muscle-relaxing and aggression-inhibiting properties. These new derivatives have the structural formula ##STR1## and the pharmaceutically-acceptable acid-addition salts thereof in which R.sub.1 and R.sub.2 are substituents selected from the group consisting of hydrogen, saturated and unsaturated alkyl groups having 1-4 carbon atoms; R.sub.3 is selected from the group consisting of --COOC.sub.3 H.sub.7, --COOC.sub.4 H.sub.9, --COOC.sub.6 H.sub.5, --C.sub.6 H.sub.5, ##STR2## whereby R.sub.4 is an aliphatic radical with 1 to 4 carbon atoms or phenyl and Y is an oxygen or sulfur atom; if m is O R.sub.3 is further selected from the group consisting of --COOCH.sub.3 and --COOC.sub.2 H.sub.5 ; n is an integer selected from 1 and 2; and m is an integer selected from 0, 1, 2 and 3, and wherein the rings A and B may be substituted, ring A being substituted preferably with halogen, such as chlorine, or with nitro, trifluoromethyl, methyl, methoxy or methylmercapto, preferably in the 5-position, and ring B being preferably substituted in the 2'-position with chlorine or fluorine. The radicals R.sub.1 and R.sub.2 preferably signify hydrogen or a methyl group, or a n-butyl group in the case of Ring B. Compounds represented by the above structural formula may be produced by reacting a compound represented by the formula ##STR3## with a compound having the formula Y -- C.sub.m H.sub.2m -- R.sub.3, one of X and Y signifying the substituent R.sub.2 -- NH -- and the other signifying a halogen atom, preferably a bromine or chlorine atom, so as to form the above specified benzophenone derivative with the elimination of H -- Hal; R.sub.1, R.sub.2, R.sub.3, n and m being as defined above, and the rings A and B being optionally substituted as discussed above. The hydrogen halide which is eliminated is advantageously bound by the addition of an acid-binding agent, as for example, a molar excess of the amine used in the reaction or, for example, triethylamine, dimethylaniline, potassium or sodium carbonate or sodium bicarbonate. The reaction is carried out in a suitable solvent, preferably at an elevated temperature, typically the reflux temperature of the solvent used.

  本发明涉及一些具有明显镇静中枢神经系统作用的药理学上有价值的新苯甲酮衍生物，其中一些还具有肌肉松弛和抑制侵略性的特性。这些新衍生物具有结构式##STR1##和其药学上可接受的酸加成盐，其中R.sub.1和R.sub.2是从氢、有1-4个碳原子的饱和和不饱和烷基组成的群体中选择的取代基；R.sub.3是从--COOC.sub.3 H.sub.7、--COOC.sub.4 H.sub.9、--COOC.sub.6 H.sub.5、--C.sub.6 H.sub.5、##STR2##其中R.sub.4是具有1至4个碳原子的脂肪基或苯基，Y是氧或硫原子；如果m为O，则R.sub.3还从--COOCH.sub.3和--COOC.sub.2 H.sub.5中选择；n是选自1和2的整数；m是选自0、1、2和3的整数，环A和环B可以被取代，环A最好被卤素（例如氯）或硝基、三氟甲基、甲基、甲氧基或甲硫基等取代，最好在5位，环B最好在2'-位被卤素（例如氯或氟）取代。基团R.sub.1和R.sub.2最好表示氢或甲基基团，或者在环B的情况下表示正丁基。通过将具有公式##STR3##的化合物与具有公式Y -- C.sub.m H.sub.2m -- R.sub.3的化合物反应，其中X和Y中的一个表示取代基R.sub.2 -- NH --，另一个表示卤素原子，最好是溴或氯原子，以形成上述指定的苯甲酮衍生物并消除H -- Hal；其中R.sub.1、R.sub.2、R.sub.3、n和m如上所定义，环A和环B可以选择如上所述的取代基。消除的氢卤素可以通过添加酸性结合剂（例如反应中使用的胺的摩尔过量或三乙胺、二甲基苯胺、碳酸钾或碳酸氢钠等）来固定。反应在适当的溶剂中进行，最好在升高的温度下进行，通常使用溶剂的回流温度。
• US4075409A
  申请人：——

  公开号：US4075409A

  公开（公告）日：1978-02-21
• [EN] PYRAZOLOPYRIMIDINES, COMPOSITIONS COMPRISING THEM AND USES THEREOF<br/>[FR] PYRAZOLOPYRIMIDINES, COMPOSITIONS LES COMPRENANT ET LEURS UTILISATIONS
  申请人：[en]INVERSAGO PHARMA INC.

  公开号：WO2023155004A1

  公开（公告）日：2023-08-24

  The present document relates to pyrazolopyrimidine compounds, pharmaceutical compositions comprising the same and their use in the treatment or prevention of diseases and disorders associated with the cannabinoid CB1receptor. For example, the pyrazolopyrimidine compounds, or a tautomeric form and/or salt thereof, are of Formula I: Formula I wherein R1to R4are as defined herein.