1-(2-氯-4-氟苄基)哌嗪 | 118630-33-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(2-氯-4-氟苄基)哌嗪
• 中文别名: 1-(2-氯-4-氟-苄基)哌嗪
• 英文名称: 1-(2-Chloro-4-fluorobenzyl)piperazine
• 英文别名: 1-[(2-chloro-4-fluorophenyl)methyl]piperazine
• CAS: 118630-33-4
• 化学式: C₁₁H₁₄ClFN₂
• mdl: MFCD03422511
• 分子量: 228.697
• InChiKey: WWHXLQXVHUCVRZ-UHFFFAOYSA-N

物化性质

• 沸点：
  125-130 °C(Press: 0.05 Torr)
• 密度：
  1.216±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.454
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-(2-氯-4-氟苄基)哌嗪 在 一水合肼 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 5-[4-(2-Chloro-4-fluoro-benzyl)-piperazin-1-yl]-4H-[1,2,4]triazol-3-ylamine
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013
• 作为产物：
  描述：

  2-氯-4-氟苯甲醛 在 sodium hydroxide 、 甲酸 作用下， 生成 1-(2-氯-4-氟苄基)哌嗪
  参考文献：
  名称：

  5-(1-Piperazinyl)-1H-1,2,4-triazol-3-amines as antihypertensive agents

  摘要：

  A series of 5-(1-piperazinyl)-1H-1,2,4-triazol-3-amines was synthesized and screened for antihypertensive and diuretic activity in spontaneously hypertensive rats (SHR). One compound, 5-[4-[(3-chlorophenyl)methyl]-1-piperazinyl]-1H-1,2,4-triazol-3-am ine (8), was selected to define the mechanism of its antihypertensive activity. Studies in SHR suggest ganglionic blocking activity. Short-lived antihypertensive activity was observed in conscious renal hypertensive dogs.

  DOI：

  10.1021/jm00123a013

文献信息

• INHIBITORS OF STEAROYL-COA DESATURASE
  申请人：Gillespie Paul

  公开号：US20090149466A1

  公开（公告）日：2009-06-11

  Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, obesity.

  提供以下式(I)化合物： 以及药用可接受的盐，其中取代基如说明书中所披露。这些化合物以及包含它们的药物组合物可用于治疗诸如肥胖等疾病。
• ACTIVATOR OF ADIPONECTIN RECEPTOR
  申请人：THE UNIVERSITY OF TOKYO

  公开号：US20160214967A1

  公开（公告）日：2016-07-28

  An AdipoR activator for activating both AdipoR1 and AdipoR2 is provided. A compound represented by the following formula (1), wherein A is a substituted or unsubstituted aryl group or the like, Y 1 is (CHR 2 ) a — or the like, X is CH or N, R 1 is a C 1-7 alkyl group, m is an integer of 0-4, Y 2 is *—O—CH 2 —CONH—, *—CONH—(CH 2 ) b —CO— or the like, Z is a cyclic group, B may be a substituent of the cyclic group represented by Z, and n is an integer of 0-3.

  提供了一种用于激活AdipoR1和AdipoR2的AdipoR激活剂。以下式（1）表示的化合物，其中A是取代或未取代的芳基或类似物，Y1是（CHR2）a—或类似物，X是CH或N，R1是C1-7烷基基团，m是0-4的整数，Y2是*—O—CH2—CONH—，*—CONH—（CH2）b—CO—或类似物，Z是环基团，B可以是Z代表的环基团的取代基，n是0-3的整数。
• The role of 5-arylalkylamino- and 5-piperazino- moieties on the 7-aminopyrazolo[4,3-<i>d</i>]pyrimidine core in affecting adenosine A₁ and A_2A receptor affinity and selectivity profiles
  作者：Lucia Squarcialupi、Marco Betti、Daniela Catarzi、Flavia Varano、Matteo Falsini、Annalisa Ravani、Silvia Pasquini、Fabrizio Vincenzi、Veronica Salmaso、Mattia Sturlese、Katia Varani、Stefano Moro、Vittoria Colotta

  DOI：10.1080/14756366.2016.1247060

  日期：2017.1.1

  New 7-amino-2-phenylpyrazolo[4,3-d]pyrimidine derivatives, substituted at the 5-position with aryl(alkyl)amino- and 4-substituted-piperazin-1-yl- moieties, were synthesized with the aim of targeting human (h) adenosine A1 and/or A2A receptor subtypes. On the whole, the novel derivatives 1-24 shared scarce or no affinities for the off-target hA2B and hA3 ARs. The 5-(4-hydroxyphenethylamino)- derivative

  合成了新的7-氨基-2-苯基吡唑并[4,3-d]嘧啶衍生物，该衍生物在5-位被芳基（烷基）氨基和4-取代的哌嗪-1-基部分取代，目的是：靶向人（h）腺苷A1和/或A2A受体亚型。总体而言，新的衍生物1-24对脱靶hA2B和hA3 ARs缺乏亲和力或没有亲和力。5-（4-羟基苯乙氨基）-衍生物12对hA2A AR表现出良好的亲和力（Ki = 150 nM）和最佳选择性，而5-苄基氨基取代的5显示出最佳的hA2A（Ki = 123 nM）和A1组合AR亲和力（Ki = 25 nM）。5-苯乙基氨基部分（化合物6）实现了纳摩尔亲和力（Ki = 11 nM）和对hA1 AR的良好选择性。5-（N4-取代的哌嗪-1-基）衍生物15-24以高纳摩尔范围内的亲和力结合hA1 AR亚型。
• NOVEL INHIBITORS OF INSULIN-LIKE GROWTH FACTOR 2 MRNA BINDING PROTEINS
  申请人：Martin-Luther-Universität Halle-Wittenberg

  公开号：EP4008717A3

  公开（公告）日：2022-09-07

  The presented invention provides compounds of formula (I) and (VIII), or a pharmaceutically acceptable salt, solvate or polymorph thereof, including all tautomers and stereoisomers thereof, wherein R1, R2, W, X, Y, Z, m, n and o are as defined herein. Said compounds of formula (I) are inhibitors of insulin-like growth factor 2 mRNA binding proteins (IGF2BP). Provided are novel inhibitors of IGF2BPs and processes for manufacturing the same. Efficacy of the new compounds is shown in solid cancer models.

  所提供的发明提供了式（I）和（VIII）的化合物，或其药学上可接受的盐、溶剂或多晶形式，包括其所有互变异构体和立体异构体，其中R1，R2，W，X，Y，Z，m，n和o如本文所定义。式（I）的这些化合物是胰岛素样生长因子2 mRNA结合蛋白（IGF2BP）的抑制剂。提供了IGF2BP的新型抑制剂和其制造过程。新化合物的功效在实体癌模型中得到了证明。
• Substituted N-heterocyclic Compounds and Their Use as Dopamine D3 Receptor Ligands
  申请人：Geneste Herve

  公开号：US20090054449A1

  公开（公告）日：2009-02-26

  The invention relates to substituted N-heterocyclic compounds of general formula (I.A) and to the tautomers of the compounds the physiologically acceptable salts of the compounds and the physiologically acceptable salts of the tautomers of the compounds. The invention also relates to the use of these compounds and their pharmacologically acceptable salts in the production of a pharmaceutical agent for treating diseases that respond to the influence exerted by dopamine D 3 receptor ligands, especially for treating diseases of the central nervous system, especially schizophrenia and/or depression.

  本发明涉及一般式（I.A）的取代N-杂环化合物，以及该化合物的互变异构体、该化合物的生理上可接受的盐和该化合物的互变异构体的生理上可接受的盐。本发明还涉及使用这些化合物及其药理学上可接受的盐制备用于治疗对多巴胺D3受体配体产生影响的疾病的药物，特别是用于治疗中枢神经系统疾病，特别是精神分裂症和/或抑郁症。