1-(4-氟苯基)-4-甲基哌嗪 | 218940-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 1-(4-氟苯基)-4-甲基哌嗪
• 英文名称: 1-(4-fluorophenyl)-4-methylpiperazine
• 英文别名: Piperazine, 1-(4-fluorophenyl)-4-methyl-
• CAS: 218940-68-2
• 化学式: C₁₁H₁₅FN₂
• 分子量: 194.252
• InChiKey: JIPGOGCZDXFCEG-UHFFFAOYSA-N

物化性质

• 熔点：
  42-44 °C
• 沸点：
  283.6±35.0 °C(Predicted)
• 密度：
  1.097±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(4-氟苯基)-4-甲基哌嗪 、 碘甲烷 以 乙醚 为溶剂， 生成 4-(4-Fluoro-phenyl)-1,1-dimethyl-piperazin-1-ium; iodide
  参考文献：
  名称：

  Structure−Affinity Relationships of a Unique Nicotinic Ligand:  N-Dimethyl-N⁴-phenylpiperazinium Iodide (DMPP)

  摘要：

  DMPP is a well-known nicotinic agonist that does not fit any proposed pharmacophore for nicotinic binding and represents a unique ligand among the hundreds of nicotinic agonists studied in the past decades. A systematic modulation of the chemical structure of DMPP, aimed to establish its structure-affinity relationships, is reported. The research has allowed to identify molecules such as I Ic, 13c, 14c, and 28c, with affinities for alpha (4)beta (2) receptors in the low nanomolar range, some 2 orders of magnitude lower than the lead compound. The agonistic properties of the most interesting compounds have been assessed by measuring their analgesic activity on mice (hot-plate test). Another result of the research was the identification of DMPP analogues, such as 3a (K-i = 90 nM) and 14b (K-i = 180 nM), that maintain affinity for the central nicotinic receptor when the ammonium function is changed into an aminic one and are therefore possible leads for drug development in neurodegenerative diseases.

  DOI：

  10.1021/jm010901y
• 作为产物：
  描述：

  甲烷二醇 、 1-(4-氟苯基)哌嗪 在 sodium acetate 、 溶剂黄146 作用下， 反应 10.0h， 以85%的产率得到1-(4-氟苯基)-4-甲基哌嗪
  参考文献：
  名称：

  一种1-（取代苯基）-4-甲基哌嗪的工艺制备方法

  摘要：

  本发明公开了一种1‑(取代苯基)‑4‑甲基哌嗪的工艺制备方法，本发明工艺制备方法以1‑(取代苯基)‑哌嗪化合物A‑1作为原料，在乙酸和碱存在下与甲基化试剂经一步反应得到1‑(取代苯基)‑4‑甲基哌嗪产品化合物A；本发明的1‑(取代苯基)‑4‑甲基哌嗪的工艺制备方法，优化改进制备路线方法，操作条件温和，降低了操作危险系数，安全性好，降低了对生产一线员工生命危害的潜在威胁等级，有利于放大生产和产业化推广；后处理能耗低，不产生大量的有毒废水，对环境无污染，降低了生产的安全等级以及生产成本，有利于绿色环保的工业化生产的应用，具有广阔的应用前景。

  公开号：

  CN109897014A

文献信息

• 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。
• [EN] 3-PHENYLSULPHONYL-QUINOLINE DERIVATIVES AS AGENTS FOR TREATING PATHOGENIC BLOOD VESSELS DISORDERS<br/>[FR] DÉRIVÉS DE 3-PHÉNYLSULFONYL-QUINOLÉINE EN TANT QU'AGENTS POUR LE TRAITEMENT DE TROUBLES DES VAISSEAUX SANGUINS PATHOGÈNES
  申请人：UNIV CALIFORNIA

  公开号：WO2021076886A1

  公开（公告）日：2021-04-22

  The disclosure provides compounds, and compositions, including pharmaceutical compositions, kits that include the compounds, and methods of using (or administering) and making the compounds. The disclosure further provides compounds or compositions thereof for use in a method of modulating PLXDC1 (TEM7) and/or PLXDC2 or killing pathogenic blood vessles. The disclosure further provides compounds or compositions thereof for use in a method of treating a disease, disorder, or condition that is mediated, at least in part, by PEDF receptors or by angiogenesis.

  该披露提供了化合物和组合物，包括药物组合物、包含这些化合物的试剂盒，以及使用（或给药）和制备这些化合物的方法。该披露进一步提供了用于调节PLXDC1（TEM7）和/或PLXDC2或杀灭病原性血管的方法中的化合物或其组合物。该披露还提供了用于治疗由PEDF受体或血管生成至少部分介导的疾病、紊乱或状况的方法中的化合物或其组合物。
• 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。
• Ion Channel Modulators
  申请人：Zelle Robert

  公开号：US20070281937A1

  公开（公告）日：2007-12-06

  The invention relates to compounds, compositions comprising the compounds, and methods of using the compounds and compound compositions. The compounds, compositions, and methods described herein can be used for the therapeutic modulation of ion channel function, and treatment of disease and disease symptoms, particularly those mediated by certain calcium channel subtype targets.

  这项发明涉及化合物、包含这些化合物的组合物，以及使用这些化合物和化合物组合物的方法。本文描述的化合物、组合物和方法可用于治疗调节离子通道功能，以及治疗疾病和疾病症状，特别是那些由特定钙通道亚型靶点介导的疾病。
• DERIVATIVES OF N-[(1H-PYRAZOL-1-YL)ARYL]-1H-INDOLE OR 1H-INDAZOLE-3-CARBOXAMIDE, PREPARATION THEREOF AND APPLICATIONS THEREOF IN THERAPEUTICS
  申请人：Badorc Alain

  公开号：US20120277205A1

  公开（公告）日：2012-11-01

  The present invention relates to compounds corresponding to formula (I): in which: A represents a divalent aromatic radical; X represents a —CH— group or a nitrogen atom; R 1 represents a (C 1 -C 4 )alkyl or a (C 1 -C 4 )alkoxy; R 2 represents a group Alk; R 3 represents a hydroxyl or a group —NR 7 R 8 ; R 4 represents a hydrogen atom, a halogen atom, a cyano, a phenyl, a group Alk, a group OAlk or a group —NR 9 R 10 ; R 5 represents a hydrogen atom, a halogen atom or a group Alk; R 6 represents a hydrogen atom, a halogen atom, a cyano, a group —COOAlk or a —CONH 2 group.

  该发明涉及与式(I)对应的化合物：其中：A代表二价芳香基团；X代表一个—CH—基团或一个氮原子；R1代表(C1-C4)烷基或(C1-C4)烷氧基；R2代表一个烷基基团；R3代表一个羟基或一个基团—NR7R8；R4代表氢原子、卤素原子、氰基、苯基、烷基基团、氧烷基团或基团—NR9R10；R5代表氢原子、卤素原子或一个烷基基团；R6代表氢原子、卤素原子、氰基、基团—COOAlk或基团—CONH2。