F2Esf439P7 | 1314642-24-4

• 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: F2Esf439P7
• 英文别名: 3-[(4R)-4-methyl-3-[methyl(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile
• CAS: 1314642-24-4
• 化学式: C₁₆H₂₀N₆O
• 分子量: 312.37
• InChiKey: UJLAWZDWDVHWOW-JTDNENJMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY
  申请人：Cole Roderic O.

  公开号：US20140357557A1

  公开（公告）日：2014-12-04

  Methods and compositions relating to CDP-JAK inhibitor conjugates are described herein.

  这里描述了与CDP-JAK抑制剂共轭物相关的方法和组合物。
• [EN] AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE<br/>[FR] PROCEDE AMELIORE POUR LA PREPARATION DE (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3YL)-METHYLAMINE
  申请人：UNICHEM LAB LTD

  公开号：WO2015087201A1

  公开（公告）日：2015-06-18

  The present invention is related to an improved and efficient process for preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine which comprises: (a) N-acylation of 3-Amino-4-methyl pyridine; (b) Quarternization of 3-Acetylamino-4- methyl pyridine using benzyl halide; (c) Partial reduction of quarternized 3-Acetylamino- 4-methyl pyridine by Sodium borohydride in Methanol or water; (d) Hydrolysis of partially reduced product to 1-Benzyl-4-methylpiperidin-3-one in presence of acid; (e) Reductive animation of 1-Benzyl-4-methylpiperidin-3-one using Methanolic methylamine in presence of Titanium(IV) isopropoxide in Methanol; (f) Resolution of 1-Benzyl-4- methylpiperidin-3-yl)-methylamine using Ditoluoyl (L) tartaric acid to get (3R,4R)-(1- benzyl-4-methylpiperidin-3-yl)-methylamine. The invention is also related to novel intermediates.

  本发明涉及一种改进和高效的制备(3R,4R)-(1-苄基-4-甲基哌啶-3-基)-甲基胺的方法，包括：(a) 对3-氨基-4-甲基吡啶进行N-酰化；(b) 使用苄基卤化物对3-乙酰氨基-4-甲基吡啶进行季铵化；(c) 通过甲醇或水中的硼氢化钠对季铵化的3-乙酰氨基-4-甲基吡啶进行部分还原；(d) 在酸的存在下对部分还原产物进行水解得到1-苄基-4-甲基哌啶-3-酮；(e) 在甲醇中，通过钛(IV)异丙醇酸酯存在下使用甲醇胺对1-苄基-4-甲基哌啶-3-酮进行还原胺化；(f) 使用二苯乙酰(L)酒石酸对1-苄基-4-甲基哌啶-3-基)-甲基胺进行拆分得到(3R,4R)-(1-苄基-4-甲基哌啶-3-基)-甲基胺。该发明还涉及新的中间体。
• Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis
  申请人：Gut Ruggeri Sally

  公开号：US20110288297A1

  公开（公告）日：2011-11-24

  This invention relates to methods and intermediates useful for the synthesis of pyrrolo[2,3-d]pyrimidine compounds. Specifically novel synthetic methods and intermediates for the synthesis of 3-(3R,4R)-4-methyl-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-amino}-piperidin- 1 -yl)-3-oxo-propionitrile and its corresponding citrate salt are disclosed.

  本发明涉及用于合成吡咯并[2,3-d]嘧啶化合物的方法和中间体。具体揭示了用于合成3-(3R,4R)-4-甲基-(7H-吡咯并[2,3-d]嘧啶-4-基)-氨基}-哌啶-1-基)-3-氧代-丙腈及其相应柠檬酸盐的新型合成方法和中间体。
• AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE
  申请人：UNICHEM LABORATORIES LIMITED

  公开号：US20160102057A1

  公开（公告）日：2016-04-14

  The present invention is related to an improved and efficient process for preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine which comprises: (a) N-acylation of 3-Amino-4-methyl pyridine; (b) Quarternization of 3-Acetylamino-4-methyl pyridine using benzyl halide; (c) Partial reduction of quarternized 3-Acetylamino-4-methyl pyridine by Sodium borohydride in Methanol or water; (d) Hydrolysis of partially reduced product to 1-Benzyl-4-methylpiperidin-3-one in presence of acid; (e) Reductive amination of 1-Benzyl-4-methylpiperidin-3-one using Methanolic methylamine in presence of Titanium(IV) isopropoxide in Methanol; (f) Resolution of 1-Benzyl-4-methylpiperidin-3-yl)-methylamine using Ditoluoyl (L) tartaric acid to get (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine. The invention is also related to novel intermediates: wherein R, R′ and X are as described in the specification.

  本发明涉及一种改进和高效的制备（3R,4R）-（1-苄基-4-甲基哌啶-3-基）-甲基胺的过程，其包括：（a）3-氨基-4-甲基吡啶的N-酰化; （b）使用苄基卤代物对3-乙酰氨基-4-甲基吡啶进行季铵化; （c）在甲醇或水中用硼氢化钠部分还原季铵化的3-乙酰氨基-4-甲基吡啶; （d）在酸的存在下水解部分还原产物为1-苄基-4-甲基哌啶-3-酮; （e）在甲醇中使用钛（IV）异丙氧化物的存在下，用甲基胺甲醇溶液还原氨基的1-苄基-4-甲基哌啶-3-酮; （f）使用Ditoluoyl（L）酒石酸分离1-苄基-4-甲基哌啶-3-基）-甲基胺，得到（3R,4R）-（1-苄基-4-甲基哌啶-3-基）-甲基胺。本发明还涉及新的中间体，其中R，R'和X如说明书所述。
• Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections
  申请人：Emory University

  公开号：US10022378B2

  公开（公告）日：2018-07-17

  Compounds, compositions, and methods of treatment and prevention of HIV infection are disclosed. The compounds are pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidine JAK inhibitors. Combinations of these JAK inhibitors and additional antiretroviral compounds, such as NRTI, NNRTI, integrase inhibitors, entry inhibitors, protease inhibitors, and the like, are also disclosed. In one embodiment, the combinations include a combination of adenine, cytosine, thymidine, and guanine nucleoside antiviral agents, optionally in further combination with at least one additional antiviral agent that works via a different mechanism than a nucleoside analog. This combination has the potential to eliminate the presence of HIV in an infected patient.

  本研究公开了治疗和预防艾滋病毒感染的化合物、组合物和方法。这些化合物是吡咯并[2,3-b]吡啶和吡咯并[2,3-b]嘧啶 JAK 抑制剂。还公开了这些 JAK 抑制剂与其他抗逆转录病毒化合物（如 NRTI、NNRTI、整合酶抑制剂、入口抑制剂、蛋白酶抑制剂等）的组合。在一个实施方案中，组合物包括腺嘌呤、胞嘧啶、胸腺嘧啶和鸟嘌呤核苷类抗病毒剂的组合，可选择与至少一种通过与核苷类似物不同的机制起作用的额外抗病毒剂进一步组合。这种组合有可能消除感染病人体内的艾滋病毒。