4-(pyrrolidin-1-ylmethyl)pyridine | 94032-94-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 4-(pyrrolidin-1-ylmethyl)pyridine
• 英文别名: 4-Pyrrolidino-methyl-pyridin；4-(pyrrolidinomethyl)pyridine；4-(1-pyrrolidinylmethyl)pyridine
• CAS: 94032-94-7
• 化学式: C₁₀H₁₄N₂
• mdl: MFCD01309094
• 分子量: 162.235
• InChiKey: HFPXKSASPJFSOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  16.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(pyrrolidin-1-ylmethyl)pyridine 在 β-环糊精 、 2-碘酰基苯甲酸 作用下， 以 水 为溶剂， 反应 8.0h， 以82%的产率得到4-(吡咯-1-基甲基)吡啶
  参考文献：
  名称：

  o-Iodoxybenzoic acid (IBX): a versatile reagent for the synthesis of N-substituted pyrroles mediated by β-cyclodextrin in water

  摘要：

  o-Iodoxybenzoic acid (IBX), a very mild and efficient hypervalent iodine(V) reagent, aromatizes diversely substituted 1-benzylpyrrolidines and N-substituted L-proline analogues to the corresponding substituted pyrroles in good to excellent yields under mild conditions mediated by beta-cyclodextrin in water at room temperature. To the best of our knowledge, this is the first report on IBX, promoting complete aromatization leading to N-benzylpyrroles from the corresponding saturated five membered heterocyclic derivatives in water medium. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2011.06.077
• 作为产物：
  描述：

  四氢吡咯 、 4-吡啶甲醛 在 三乙酰氧基硼氢化钠 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 16.0h， 以98%的产率得到4-(pyrrolidin-1-ylmethyl)pyridine
  参考文献：
  名称：

  含胺分子的选择性杂芳基氮氧化

  摘要：

  报道了在胺存在下杂芳烃的非酶N-氧化的第一个实例。通过使用原位质子化策略和亚胺盐有机催化剂，在更具反应性的脂肪族和脂环族胺存在下，选择性地形成吡啶，喹啉和异喹啉N-氧化物。还证明了其可用于模仿小分子药物1期代谢的后期功能化。

  DOI：

  10.1021/acs.orglett.8b00558

文献信息

• [EN] PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACETAMIDES AS INHIBITORS OF THE NLRP3 INFLAMMASOME PATHWAY<br/>[FR] PYRAZOLO[1,5-D][1,2,4]TRIAZINE-5(4H)-ACÉTAMIDES UTILISÉS COMME INHIBITEURS DE LA VOIE DE L'INFLAMMASOME NLRP3
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2021209552A1

  公开（公告）日：2021-10-21

  The invention relates to novel compounds for use as inhibitors of NLRP3 inflammasone production, wherein such compounds are as defined by compounds of formula (I) and wherein the integers R1, R2 and R3 are defined in the description, and where the compounds may be useful as medicaments, for instance for use in the treatment of a disease or disorder that is associated with NLRP3 inflammasome activity.

  这项发明涉及用作NLRP3炎症小体产生抑制剂的新化合物，其中这些化合物由式(I)的化合物定义，并且整数R1、R2和R3在描述中有定义，这些化合物可能作为药物有用，例如用于治疗与NLRP3炎症小体活性相关的疾病或紊乱。
• [EN] BENZOFUROPYRIMIDINONES AS PROTEIN KINASE INHIBITORS<br/>[FR] BENZOFUROPYRIMIDINONES EN TANT QU'INHIBITEURS DE PROTÉINE KINASE
  申请人：EXELIXIS INC

  公开号：WO2009086264A1

  公开（公告）日：2009-07-09

  A compound according to formula I: or a pharmaceutically acceptable salt thereof; wherein R1, R2, R3a, R3b, R3c and R3d are as defined in the specification, pharmaceutical compositions thereof, and methods of use thereof.

  根据公式I的化合物：或其药用可接受盐；其中R1、R2、R3a、R3b、R3c和R3d如规范中所定义，以及其药物组合物和使用方法。
• Benzenesulphonamide derivatives, method for production and use thereof for treatment of pain
  申请人：Barth Martine

  公开号：US20060178360A1

  公开（公告）日：2006-08-10

  The present invention concerns novel benzenesulphonamide compounds, defined by formula I and the description, their method of preparation and their use in therapy.

  本发明涉及新型苯磺酰胺化合物，由公式I和描述所定义，其制备方法及在治疗中的用途。
• [EN] ARYL AND HETEROARYL UREA CHK1 INHIBITORS FOR USE AS RADIOSENSITIZERS AND CHAMOSENSITIZERS<br/>[FR] UREE ARYLE ET HETEROARYLE UTILISEE EN TANT QU'INHIBITEUR DE CHK1, A UTILISER EN TANT QUE RADIOSENSIBILISANTS ET CHIMIOSENSIBILISANTS
  申请人：ICOS CORP

  公开号：WO2002070494A1

  公开（公告）日：2002-09-12

  Aryl- and heteroaryl substituted urea compounds useful in the treatment of diseases and conditions related to DNA damage or lesions in DNA replication are disclosed. Methods of making the compounds, and their use as therapeutic agents, for example, in treating cancer and other diseases characterized by defects in DNA replication, chromosome segregation, or cell division also are disclosed. Wherein W' is a six-membered aromatic ring containing at least 2 introgen atoms and optionally substitutedas defined in the claims, Z' is a five- or six membered aromatic or heteraromatic ring as defined in the claims, Y' is O or S.

  本发明涉及芳基和杂芳基取代的脲类化合物，用于治疗与DNA损伤或DNA复制中的损伤有关的疾病和病况。本发明还公开了制备这些化合物的方法以及它们作为治疗剂的用途，例如治疗癌症和其他以DNA复制缺陷、染色体分离或细胞分裂为特征的疾病。其中W'是一个含有至少2个氮原子的六元芳环，也可以是根据权利要求中定义的取代基；Z'是根据权利要求中定义的五元或六元芳香环或杂芳香环；Y'是O或S。
• Pyrimidone derivatives, processes for their preparation and pharmaceutical derivatives containing them
  申请人：SMITH KLINE & FRENCH LABORATORIES LIMITED

  公开号：EP0049173A2

  公开（公告）日：1982-04-07

  Compounds (1) in which R1 and R2 are C1-C4 alkyl or together with the nitrogen atom to which they are attached form a pyrrolidino or piperidino group; Y is methylene or sulphur; X is methylene or oxygen provided that X is methylene when Y is sulphur; Z is hydrogen or C1-C4 alkyl; and R5 is hydrogen, C1-4 alkyl or -A-B where A is C1-C4 alkylene and B is optionally substituted heteroaryl or phenyl are histamine H2-antagonists. Processes for their preparation and pharmaceutical compositions containing them are also described.

  其中 R1 和 R2 是 C1-C4 烷基或与它们连接的氮原子一起形成吡咯烷基或哌啶基；Y 是亚甲基或硫；X 是亚甲基或氧，条件是当 Y 是硫时 X 是亚甲基；Z 是氢或 C1-C4 烷基；R5 是氢、C1-4 烷基或 -A-B 其中 A 是 C1-C4 亚烷基，B 是任选取代的杂芳基或苯基的化合物 (1) 是组胺 H2-拮抗剂。 还描述了它们的制备方法和含有它们的药物组合物。