1-(4-fluorobenzyl)-4-methylpiperazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-fluorobenzyl)-4-methylpiperazine
• 英文别名: 1-[(4-fluorophenyl)methyl]-4-methylpiperazine
• 化学式: C₁₂H₁₇FN₂
• mdl: MFCD00977076
• 分子量: 208.279
• InChiKey: KFMDNJJTGINMCS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 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：
  6.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-甲基哌嗪 、 4-氟溴苄 生成 1-(4-fluorobenzyl)-4-methylpiperazine
  参考文献：
  名称：

  哌嗪和卤代苄基阳离子之间的气相亲核芳香取代：苄基阳离子的亚甲基芳烃形式的反应性

  摘要：

  S N Ar中涉及的亚甲基芳烃：使用ESI质谱研究了卤苄基阳离子与哌嗪通过阳离子σ络合物的气相亲核芳族取代反应。该研究表明卤代苄基阳离子的亚甲基芳烃形式在苯环上具有亲核取代反应性（参见方案）。

  DOI：

  10.1002/chem.201101790

文献信息

• [EN] SMALL MOLECULE INHIBITORS OF MCL-1 AND USES THEREOF<br/>[FR] PETITES MOLÉCULES INHIBITRICES DE MCL-1 ET LEURS UTILISATIONS
  申请人：UNIV MICHIGAN REGENTS

  公开号：WO2016172218A1

  公开（公告）日：2016-10-27

  This invention is in the field of medicinal chemistry. In particular, the invention relates to a new class of small-molecules having benzoic acid structure which function as inhibitors of Mcl-1 protein, and their use as therapeutics for the treatment of cancer and other diseases.

  这项发明属于药物化学领域。具体来说，该发明涉及一类具有苯甲酸结构的新型小分子，其作为Mcl-1蛋白的抑制剂，并且它们作为治疗癌症和其他疾病的药物的用途。
• [EN] SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS SUBSTITUÉS DE PYRAZOLO[1,5-A]PYRIDINES COMME INHIBITEURS DE LA KINASE RET
  申请人：ARRAY BIOPHARMA INC

  公开号：WO2017011776A1

  公开（公告）日：2017-01-19

  Provided herein are compounds of the General Formula I: and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, D, E, X1, X2, X3 and X4 have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase.

  本文提供了一般式I的化合物及其立体异构体和药用可接受的盐或溶剂，其中A、B、D、E、X1、X2、X3和X4的含义如规范中所述，这些化合物是RET激酶的抑制剂，可用于治疗和预防可以用RET激酶抑制剂治疗的疾病，包括由RET激酶介导的疾病或紊乱。
• [EN] AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS<br/>[FR] AZÉTIDINES ET CYCLOBUTANES COMME ANTAGONISTES DES RÉCEPTEURS H3 DE L'HISTAMINE
  申请人：EVOTEC NEUROSCIENCES GMBH

  公开号：WO2009135842A1

  公开（公告）日：2009-11-12

  The invention relates to compounds of formula (I) wherein R, R0, R1, m, n and X1 to X4 have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.

  本发明涉及具有式(I)的化合物，其中R，R0，R1，m，n和X1至X4如描述和权利要求中所引述的含义。所述化合物作为组胺H3受体拮抗剂是有用的。本发明还涉及药物组合物，以及此类化合物的制备以及作为药品的生产和使用。
• ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES
  申请人：Herman Jean

  公开号：US20140088088A1

  公开（公告）日：2014-03-27

  The present invention relates to compound of formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, Formulas (I), (II), (III) and (IV) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , R 11 , and R 12 are as defined in the claim 1 or as described in detail in the description of the invention, and to the use of said compounds to treat or prevent proliferative disorders and their use to manufacture a medicine to treat or prevent proliferative disorders, particularly cancer such as leukemia. The present invention also relates to pharmaceutical compositions of said compounds and the use of said pharmaceutical compositions to treat or prevent proliferative disorders. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of proliferative disorders and pathologic conditions such as, but not limited to, cancer such as leukemia.

  本发明涉及式I、II、III或IV的化合物，和/或其药用可接受的加合物盐和/或其立体异构体和/或其溶剂化合物，式(I)、(II)、(III)和(IV)中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求书中所定义或在发明说明书中详细描述的那样，以及使用所述化合物来治疗或预防增殖性疾病以及用于制造治疗或预防增殖性疾病的药物，特别是像白血病这样的癌症。本发明还涉及所述化合物的药物组合物以及使用所述药物组合物来治疗或预防增殖性疾病。本发明还涉及将所述化合物用作生物活性成分，更具体地用作治疗增殖性疾病和病理状况的药物，例如癌症如白血病等。
• Antiviral Activity of Novel Bicyclic Heterocycles
  申请人：De Jonghe Steven

  公开号：US20130190297A1

  公开（公告）日：2013-07-25

  The present invention relates to compound of Formula I, II, III, or IV, and/or a pharmaceutical acceptable addition salt thereof and/or a stereoisomer thereof and/or a solvate thereof, wherein R1, R2, R3, R4, R5, R6, R7, R8, R9, R11, and R12 are as defined in the claim 1 or as described in detail in the description of the invention, and to the use of said compounds to treat or prevent viral infections and their use to manufacture a medicine to treat or prevent viral infections, particularly infections with RNA-viruses belonging to the family of the Retroviridae, the family of the Flaviviridae and the family of the Picornaviridae and more preferably infections with Human Immunodeficiency Virus 1 (HIV1), Human Immunodeficiency Virus 2 (HIV2), Hepatitis C virus (HCV), Dengue virus, and enteroviruses like Coxsackievirus, Rhinovirus and Poliovirus. The present invention also relates to pharmaceutical compositions of said compounds and the use of said pharmaceutical compositions to treat or prevent viral infections. The present invention further relates to the use of said compounds as biologically active ingredients, more specifically as medicaments for the treatment of viral disorders and pathologic conditions such as, but not limited to, viral infections with Human Immunodeficiency Virus 1 (HIV1), Human Immunodeficiency Virus 2 (HIV2), Hepatitis C virus (HCV), Dengue virus, and enteroviruses like Coxsackievirus, Rhinovirus and Poliovirus.

  本发明涉及式I、II、III或IV的化合物，和/或其药用可接受的加盐物和/或其立体异构体和/或其溶剂合物，其中R1、R2、R3、R4、R5、R6、R7、R8、R9、R11和R12如权利要求书中所定义或在发明说明书中详细描述的那样，并且涉及使用这些化合物来治疗或预防病毒感染以及用于制造用于治疗或预防病毒感染的药物，特别是属于逆转录病毒科、黄病毒科和小核病毒科家族的RNA病毒感染，更具体地是与人类免疫缺陷病毒1（HIV1）、人类免疫缺陷病毒2（HIV2）、丙型肝炎病毒（HCV）、登革病毒以及柯萨奇病毒、鼻病毒和脊髓灰质炎病毒等肠病毒感染相关的感染。本发明还涉及所述化合物的药物组合物以及使用所述药物组合物来治疗或预防病毒感染。本发明还涉及将所述化合物用作生物活性成分，更具体地用作治疗病毒性疾病和病理状况的药物，例如但不限于与人类免疫缺陷病毒1（HIV1）、人类免疫缺陷病毒2（HIV2）、丙型肝炎病毒（HCV）、登革病毒以及柯萨奇病毒、鼻病毒和脊髓灰质炎病毒相关的病毒感染。