(S)-3-甲基吗啉盐酸盐 | 1022094-03-6

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 中文名称: (S)-3-甲基吗啉盐酸盐
• 中文别名: (S)3-甲基吗啉盐酸盐；S-3-甲基吗啉盐酸盐
• 英文名称: (S)-3-methylmorpholine hydrochloride
• 英文别名: (3S)-3-methylmorpholine;hydrochloride
• CAS: 1022094-03-6
• 化学式: C₅H₁₁NO*ClH
• 分子量: 137.609
• InChiKey: MSOCQCWIEBVSLF-JEDNCBNOSA-N

物化性质

• 熔点：
  >200℃

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2934999090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  6-溴吡啶-2-甲醛 、 (S)-3-甲基吗啉盐酸盐 在 三乙酰氧基硼氢化钠 、 三乙胺 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 (3S)-4-[(6-bromopyridin-2-yl)methyl]-3-methylmorpholine
  参考文献：
  名称：

  WO2008/156726

  摘要：

  公开号：
• 作为产物：
  描述：

  (5S)-4-[(4-甲氧基苯基)甲基]-5-甲基吗啉-3-酮 在 锂硼氢 、 三甲基氯硅烷 、 1-氯乙基氯甲酸酯 作用下， 以 四氢呋喃 、 1,2-二氯乙烷 为溶剂， 反应 8.0h， 生成 (S)-3-甲基吗啉盐酸盐
  参考文献：
  名称：

  Discovery of novel 2-(alkylmorpholin-4-yl)-6-(3-fluoropyridin-4-yl)-pyrimidin-4(3H)-ones as orally-active GSK-3β inhibitors for Alzheimer’s disease

  摘要：

  We herein describe the results of further evolution of GSK-3 beta inhibitors for Alzheimer's disease from our promising compounds with in vivo tau phosphorylation inhibitory activity by oral administration. Introduction of a low alkyl group instead of the phenyl group at the 3-position of the morpholine moiety aiming to improve pharmacokinetic profiles resulted in potent low molecular weight GSK-3 beta inhibitors with good in vitro pharmacokinetic profiles, which also showed in vivo tau phosphorylation inhibitory activity by oral administration. Effect of the stereochemistry of the alkyl moiety is also discussed using docking models. (C) 2015 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.01.005

文献信息

• Sulfinamides as Highly Effective Amine Protecting Groups and Their Use in the Conversion of Amino Alcohols into Morpholines
  作者：Sven P. Fritz、Amara Mumtaz、Muhammad Yar、Eoghan M. McGarrigle、Varinder K. Aggarwal

  DOI：10.1002/ejoc.201100337

  日期：2011.6

  1,2-Amino alcohols have been converted into morpholines by using sulfinamides as temporary protecting/activating groups on the amine. We have developed a procedure for the selective synthesis of monoprotected N-sulfinyl amino alcohols through a double sulfinylation/hydrolysis strategy. Following the reaction of the sulfinamides with bromoethyldiphenylsulfonium triflate, protected morpholines were obtained

  通过使用亚磺酰胺作为胺上的临时保护/活化基团，已将 1,2-氨基醇转化为吗啉。我们开发了一种通过双亚磺酰化/水解策略选择性合成单保护 N-亚磺酰氨基醇的程序。在亚磺酰胺与溴乙基二苯基锍三氟甲磺酸盐反应后，以高产率获得了受保护的吗啉。随后用 HCl 处理释放出吗啉盐酸盐。这种高产和有效方法的有用性已在抗抑郁药物 (S,S)-瑞波西汀的正式合成中得到证明。
• [EN] COMPOUNDS<br/>[FR] COMPOSÉS
  申请人：GLAXOSMITHKLINE IP DEV LTD

  公开号：WO2018137619A1

  公开（公告）日：2018-08-02

  The present invention provides novel compounds that inhibit LRRK2 kinase activity, processes for their preparation, compositions containing them and their use in the treatment of or prevention of diseases associated with or characterized by LRRK2 kinase activity, for example Parkinson's disease, Alzheimer's disease and amyotrophic lateral sclerosis (ALS).

  本发明提供了抑制LRRK2激酶活性的新化合物，以及它们的制备方法、含有它们的组合物以及它们在治疗或预防与LRRK2激酶活性相关或以其为特征的疾病中的应用，例如帕金森病、阿尔茨海默病和肌萎缩侧索硬化症（ALS）。
• PROCESS OF SYNTHESIZING SUBSTITUTED PYRIDINE AND PYRIMIDINE COMPOUND
  申请人：SHANGHAI INSTITUTE OF MATERIA MEDICA,CHINESE ACADEMY OF SCIENCES

  公开号：US20180079749A1

  公开（公告）日：2018-03-22

  Provided is a process of synthesizing a substituted pyridine and pyrimidine compound. Particularly, provided is a method for preparing a compound of formula III via a compound of formula II′, wherein the definition of each of groups is as described as the description. Compound with other methods, the method in the present invention has features of high yield and a result product being easier to separate.

  提供了一种合成取代吡啶和嘧啶化合物的过程。特别地，提供了一种通过式II′化合物制备式III化合物的方法，其中各个基团的定义如描述中所述。与其他方法相比，本发明的方法具有高产率和更容易分离的产物的特点。
• [EN] CHLOROTHIOPHENE-AMIDES AS INHIBITORS OF COAGULATION FACTORS XA AND THROMBIN<br/>[FR] CHLOROTHIOPHÈNE-AMIDES UTILISÉS COMME INHIBITEURS DES FACTEURS DE COAGULATION XA ET DE LA THROMBINE
  申请人：SANOFI AVENTIS

  公开号：WO2009103440A1

  公开（公告）日：2009-08-27

  The present invention relates to compounds of the formula I wherein R1; R2; R3; R4; R5, R13, R16, X and M have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds. They exhibit a strong anti-thrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardio-vascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and thrombin and can in general be applied in conditions in which an undesired activity of factor Xa and/or thrombin are present or for the cure or prevention of which an inhibition of factor Xa and thrombin are intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及具有式I的化合物，其中R1; R2; R3; R4; R5, R13, R16, X和M具有权利要求中所指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强大的抗血栓作用，例如，适用于治疗和预防心血管疾病，如血栓栓塞疾病或再狭窄。它们是血液凝块酶因子Xa（FXa）和凝血酶的可逆抑制剂，通常可应用于存在因子Xa和/或凝血酶不良活性的情况，或者用于治疗或预防需要抑制因子Xa和凝血酶的情况。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为药物中的活性成分，以及包含它们的药物制剂。
• [EN] NOVEL PURINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE<br/>[FR] NOUVEAUX DÉRIVÉS DE PURINE ET UTILISATION DE CEUX-CI DANS LE TRAITEMENT D'UNE MALADIE
  申请人：NOVARTIS AG

  公开号：WO2013061305A1

  公开（公告）日：2013-05-02

  The invention relates to PI3K inhibitors of the formula (I) • in which all of the variables are as defined in the specification, to their preparation, to their medical use, in particular to their use in the treatment of cancer and neurodegenerative disorders, and to medicaments comprising them.

  这项发明涉及到式(I)的PI3K抑制剂，其中所有变量均如规范中定义的那样，涉及到它们的制备，它们的医疗用途，特别是它们在癌症和神经退行性疾病治疗中的用途，以及包含它们的药物。