1-丙基哌嗪 | 21867-64-1

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 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-丙基哌嗪
• 中文别名: 正丙基哌嗪；N-丙基哌嗪；丙基哌嗪
• 英文名称: 1-n-propylpiperazine
• 英文别名: 1-propylpiperazine；N-propylpiperazine
• CAS: 21867-64-1
• 化学式: C₇H₁₆N₂
• mdl: MFCD00044591
• 分子量: 128.217
• InChiKey: QLEIDMAURCRVCX-UHFFFAOYSA-N

物化性质

• 熔点：
  241-242 °C (decomp)
• 沸点：
  165-170 °C
• 密度：
  0.868±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  9
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090
• 危险性防范说明：
  P264,P280,P302+P352,P305+P351+P338,P332+P313,P337+P313,P362
• 危险性描述：
  H315,H319
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  1-丙基哌嗪 在 potassium hydride 作用下， 以 二氯甲烷 为溶剂， 反应 4.5h， 生成 1-((2S,3S)-3-Phenyl-oxiranesulfonyl)-4-propyl-piperazine
  参考文献：
  名称：

  New antifilarial agents. 1. Epoxy sulfonamides and ethynesulfonamides

  摘要：

  Two series of 2-substituted 1,2-epoxyethanesulfonamides 2 and ethynesulfonamides 5 were synthesized and evaluated for their antifilarial activity. The trans epoxides 2T were stereospecifically prepared by a Darzens reaction between aldehydes and halomethanesulfonamides. The cis isomers 2c were obtained from ethynesulfonamides 5 by semihydrogenation followed by KOCl epoxidation. 2-Substituted ethynesulfonamides 5 were synthesized from appropriate trans-ethenesulfonamides by a bromination/dehydrobromination sequence. These products, as well as several synthetic intermediates, were evaluated for antifilarial activity against Molinema dessetae either in vivo in its natural host, the rodent Proechimys oris, or in vitro by a new test using cultures of the infective larvae. Most of the epoxides 2T and acetylenic derivatives 5 bearing a 2-aryl substituent were active in vitro. Among these compounds, four epoxides 2T and one acetylenic derivative 5 showed marked macrofilaricidal activity in vivo without any microfilaricidal activity. The differences between the in vivo and in vitro results may be due, in part, to the low chemical stability of the epoxy sulfonamides 2T. Despite this limitation, the activities observed in this reliable animal model suggest further development and testing of both series 2T and 5 as macrofilaricides.

  DOI：

  10.1021/jm00395a010
• 作为产物：
  描述：

  phenyl(4-propylpiperazin-1-yl)methanone 在 盐酸 作用下， 反应 5.0h， 以74%的产率得到1-丙基哌嗪
  参考文献：
  名称：

  Kafka, Stanislav; Cermak, Jan; Novak, Tomas, Collection of Czechoslovak Chemical Communications, 1985, vol. 50, # 5, p. 1201 - 1211

  摘要：

  DOI：
• 作为试剂：
  描述：

  6-氯水杨醛 、 丙烯腈 在 1-丙基哌嗪 作用下， 反应 5.0h， 以47%的产率得到5-chloro-4H-chromene-3-carbonitrile
  参考文献：
  名称：

  [EN] INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION
  [FR] INHIBITEURS DE LA RÉPLICATION DU VIRUS DE L'IMMUNODÉFICIENCE HUMAINE

  摘要：

  本发明涉及式（I）的化合物，其中c、X、Y、R2、R3、R4和R6如本文所定义，以及用于治疗人类免疫缺陷病毒（HIV）感染的组合物和用途。具体地，本发明提供了HIV整合酶的新型抑制剂，含有这些化合物的药物组合物以及在治疗HIV感染中使用这些化合物的方法

  公开号：

  WO2009062288A1

文献信息

• [EN] PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF<br/>[FR] INHIBITEURS DE PROTÉINE TYROSINE PHOSPHATASE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：CALICO LIFE SCIENCES LLC

  公开号：WO2020186199A1

  公开（公告）日：2020-09-17

  Provided herein are compounds, compositions, and methods useful for inhibiting protein tyrosine phosphatase, e.g., protein tyrosine phosphatase non-receptor type 2 (PTPN2) and/or protein tyrosine phosphatase non-receptor type 1 (PTPN1), and for treating related diseases, disorders and conditions favorably responsive to PTPN 1 or PTPN2 inhibitor treatment, e.g., a cancer or a metabolic disease.

  本文提供了用于抑制蛋白酪氨酸磷酸酶的化合物、组合物和方法，例如蛋白酪氨酸磷酸酶非受体型2（PTPN2）和/或蛋白酪氨酸磷酸酶非受体型1（PTPN1），以及用于治疗对PTPN1或PTPN2抑制剂治疗有良好反应的相关疾病、紊乱和状况的方法，例如癌症或代谢性疾病。
• Compounds for the treatment of obesity
  申请人：——

  公开号：US20010039277A1

  公开（公告）日：2001-11-08

  NPY antagonists, methods of using such NPY antagonists and pharmaceutical compositions containing such NPY antagonists. The NPY antagonists are useful for the treatment of NPY mediated disease/conditions including obesity.

  NPY拮抗剂，使用此类NPY拮抗剂的方法以及含有此类NPY拮抗剂的药物组合物。这些NPY拮抗剂对于治疗由NPY介导的疾病/症状，包括肥胖症，是有用的。
• [EN] TRICYCLIC PYRAZOLE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES A BASE DE TYRAZOLES TRICYCLIQUES
  申请人：ABBOTT LAB

  公开号：WO2005095387A1

  公开（公告）日：2005-10-13

  Compounds of the present invention are useful for inhibiting protein tyrosine kinases. Also disclosed are methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds.

  本发明的化合物对抑制蛋白酪氨酸激酶具有用处。还公开了制备这些化合物的方法、含有这些化合物的组合物以及使用这些化合物进行治疗的方法。
• Substituted piperazines and diazepanes
  申请人：——

  公开号：US20040019039A1

  公开（公告）日：2004-01-29

  A novel class of substituted piperazines and diazepanes, pharmaceutical compositions comprising them and use thereof in the treatment of diseases and disorders related to the histamine H3 receptor. More particularly, the compounds are useful for the treatment of diseases and disorders in which an interaction with the histamine H3 receptor is beneficial.

  一种新型的取代哌嗪和二氮杂环庚烷类化合物，包括它们的药物组合物以及在治疗与组胺H3受体相关的疾病和紊乱中的应用。更具体地说，这些化合物对于治疗需要与组胺H3受体相互作用有益的疾病和紊乱是有用的。
• Synthesis, and Antitumor Activity of Some N1-(Coumarin-7-yl) Amidrazones and Related Congeners
  作者：Mohammad S. Mustafa、Mustafa M. El-Abadelah、Malek A. Zihlif、Randa G. Naffa、Mohammad S. Mubarak

  DOI：10.3390/molecules16054305

  日期：——

  A series of new N1-(coumarin-7-yl)amidrazones incorporating N-piperazines and related congeners were synthesized by reacting the hydrazonoyl chloride derived from 7-amino-4-methylcoumarin with the appropriate piperazines. The chemical structures of the newly prepared compounds were supported by elemental analyses, ¹H-NMR, ¹³C-NMR, and ESI-HRMS spectral data. The antitumor activity of the newly synthesized

  通过将衍生自 7-氨基-4-甲基香豆素的腙酰氯与适当的哌嗪反应，合成了一系列包含 N-哌嗪和相关同源物的新型 N1-(香豆素-7-基)脒腙。新制备的化合物的化学结构得到了元素分析、1H-NMR、13C-NMR 和 ESI-HRMS 光谱数据的支持。评价了新合成化合物的抗肿瘤活性。在所有测试的化合物中，7-2-[1-(4-(1-benzyl-2-ethyl-4-nitro-1H-imidazol-5-yl)piperazin-1-yl)-2-oxo亚丙基]hydrazinyl }-4-methyl-2H-chromen-2-one (3n) 对 MCF-7 和 K562 细胞最有效，IC50 值分别为 20.2 和 9.3 μM。

表征谱图