1-(3-二甲氨基丙基)哌嗪 | 877-96-3

• 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-(3-二甲氨基丙基)哌嗪
• 中文别名: N,N-二甲基-1-哌丙胺；1-(3-二乙基氨基丙基)哌嗪；1-(3-二甲胺基丙基)哌嗪；1-[3-(二甲氨基)丙基]哌嗪
• 英文名称: dimethyl-(3-piperazin-1-yl-propyl)-amine
• 英文别名: N,N-dimethyl-3-(piperazin-1-yl)propan-1-amine；1-[3-(dimethylamino)propyl]piperazine；1-(3-dimethylaminoprop-1-yl)piperazine；1-(3-Dimethylaminopropyl)piperazine；N,N-dimethyl-3-piperazin-1-ylpropan-1-amine
• CAS: 877-96-3
• 化学式: C₉H₂₁N₃
• mdl: MFCD00082601
• 分子量: 171.286
• InChiKey: YJRGRZJKGMBHIB-UHFFFAOYSA-N

物化性质

• 沸点：
  77 °C
• 密度：
  0.91g/ml
• 稳定性/保质期：
  在常温常压下稳定，应避免与空气、酸及二氧化碳直接接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  8
• 危险品标志：
  Xi
• 安全说明：
  S26
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 危险品运输编号：
  UN 2735
• 储存条件：
  应将物品存放在干燥的惰性气体中，并确保容器密封。将其置于阴凉、干燥处保存。

反应信息

• 作为反应物：
  描述：

  1-(3-二甲氨基丙基)哌嗪 在 一水合肼 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 5-[4-(3-Dimethylamino-propyl)-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：

  tert-butyl 4-(3-methoxy-3-oxopropyl)piperazine-1-carboxylate 在 盐酸 、 lithium aluminium tetrahydride 、 magnesium chloride 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 为溶剂， 反应 27.58h， 生成 1-(3-二甲氨基丙基)哌嗪
  参考文献：
  名称：

  Design and synthesis of novel sulfonamide-containing bradykinin hB2 receptor antagonists. Synthesis and structure-relationships of α,α-tetrahydropyranylglycine

  摘要：

  A series of alpha,alpha-cycloalkylglycine sulfonamide compounds of general formula 1 has previously been identified by our group as selective human B-2(hB(2)) receptor antagonists. Here we report the in vitro and in vivo BK antagonist activity of a further evolution of the series, consisting in compounds of the general formula 2, containing either an alkyl piperazine or a 4-alkyl piperidine ring bearing various positively charged groups (R'). These studies unexpectedly revealed quite a flat nanomolar/subnanomolar SAR for the binding affinity, while differences were seen in the in vitro functional activities. We propose that variations in the residence time may explain these results. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.01.036

文献信息

• Substituted Indole Compounds
  申请人：Schunk Stefan

  公开号：US20100222324A1

  公开（公告）日：2010-09-02

  Substituted indole compounds corresponding to the formula I: In which R 8 , R 9a , R 9b , R 10 , R 11 , R 200 , R 210 , A, D, T, q, s and t have defined meanings, processes for the preparation thereof, pharmaceutical compositions containing such compounds and the use of substituted indole compounds for the treatment or inhibition of pain and other conditions which are at least partly mediated by Bradykinin 1 receptors (B1R).

  将与下式I对应的吲哚化合物替代： 其中R8、R9a、R9b、R10、R11、R200、R210、A、D、T、q、s和t具有定义的含义，其制备方法，含有这种化合物的药物组合物以及用于治疗或抑制至少部分由Bradykinin 1受体（B1R）介导的疼痛和其他病症的替代吲哚化合物的用途。
• Compounds and uses thereof for decreasing activity of hormone-sensitive lipase
  申请人：——

  公开号：US20030166644A1

  公开（公告）日：2003-09-04

  Use of compounds to inhibit hormone-sensitive lipase, pharmaceutical compositions comprising the compounds, methods of treatment employing these compounds and compositions, and novel compounds. The present compounds are inhibitors of hormone-sensitive lipase and may be useful in the treatment and/or prevention of medical disorders where a decreased activity of hormone-sensitive lipase is desirable.

  使用化合物抑制激素敏感性脂肪酶，包括这些化合物的药物组合物，使用这些化合物和组合物的治疗方法，以及新化合物。目前的化合物是激素敏感性脂肪酶的抑制剂，可能在治疗和/或预防需要降低激素敏感性脂肪酶活性的医学疾病中有用。
• [EN] BENZOXAZOLE DERIVATIVE COMPOUNDS WITH ANTICANCER EFFECTS<br/>[FR] COMPOSÉS DÉRIVÉS DE BENZOXAZOLE AYANT DES EFFETS ANTICANCÉREUX
  申请人：ANADOLU UNIV

  公开号：WO2020204864A1

  公开（公告）日：2020-10-08

  The present invention relates to novel benzoxazole derivative compounds with anticancer effects and the use of these compounds in the treatment of various cancer types. In the present invention, anticarcinogenic compounds are obtained by using the precursor of 6-diamino-N-(4-(5-fluorobenzo[d]thiazo]e-2-yl)-2- rnethyIphenyl)hexanamide

  本发明涉及具有抗癌作用的新型苯并噁唑衍生物化合物以及这些化合物在治疗各种癌症类型中的应用。在本发明中，通过使用6-二氨基-N-(4-(5-氟苯并[ d ]噻唑]e-2-yl)-2- rnethyIphenyl)hexanamide的前体获得抗癌化合物。
• Synthesis of some new benzoxazole derivatives and investigation of their anticancer activities
  作者：Derya Osmaniye、Büşra Korkut Çelikateş、Begüm Nurpelin Sağlık、Serkan Levent、Ulviye Acar Çevik、Betül Kaya Çavuşoğlu、Sinem Ilgın、Yusuf Özkay、Zafer Asım Kaplancıklı

  DOI：10.1016/j.ejmech.2020.112979

  日期：2021.1

  anticancer activity. In this study, it is aimed to obtain new phortress analogues by bioisosteric replacement of benzothiazole core in the structure to benzoxazole ring system. Synthesis of compounds (3a-3p) were performed according to literature methods. Their structures were elucidated by IR, 1H-NMR, 13C-NMR, 2D-NMR and HRMS spectroscopic methods. Cytotoxicity (MTT), inhibition of DNA synthesis and flow

  Phortress是一种抗癌前药，其活性代谢产物（5F-203）是芳烃受体（AhR）的有效激动剂。5F-203开启细胞色素P450 CYP1A1基因表达，因此具有抗癌活性。在这项研究中，其目的是通过生物等位取代苯并噻唑环结构中的苯并噻唑核心，从而获得新的phortress类似物。根据文献方法进行化合物（3a-3p）的合成。通过IR，1 H-NMR，13阐明了它们的结构。C-NMR，2D-NMR和HRMS光谱法。应用细胞毒性（MTT），抑制DNA合成和流式细胞分析法测定化合物对结肠（HT-29），乳房（MCF7），肺（A549），肝（HepG2）和脑（C6）的抗癌活性癌细胞类型。当与参考药物阿霉素比较时，化合物3m和3n对致癌细胞系显示出非常有吸引力的抗癌作用。由于与的结构相似，因此对3m和3n进行了生物转化研究通过LCMS-IT-TOF系统检查并确定了这些化合物的可能代谢产物。还研究了这些化合物对CYP1A1
• Synthesis of New Bis-pyrazolines Endowed with Potent Antifungal Activity against Candida albicans and Aspergillus niger
  作者：Belgin Sever、Mehlika Dilek Altintop、Ahmet Özdemir

  DOI：10.2174/1570180817999201008155247

  日期：2021.2.26

  need to identify potent antifungal agents capable of combating IFIs. Pyrazolines are one such class of therapeutically active agents that could be considered to fulfill this need. Objective: In this context, this paper aims to identify two new series of bis-pyrazolines endowed with potent antifungal activity against Candida albicans and Aspergillus niger. Methods: Two new series of bis-pyrazolines (4a-i

  背景：由于侵袭性真菌感染（IFI）的病例数量不断增加，迫切需要确定能够与IFI对抗的有效抗真菌剂。吡唑啉是可以被认为满足这种需要的一类此类治疗活性剂。 目的：在此背景下，本文旨在确定两个新的双吡唑啉类，它们具有对白色念珠菌和黑曲霉的有效抗真菌活性。 方法：通过高效且通用的合成方法合成了两个新的双吡唑啉系列（4a-i，5a-e）。使用肉汤微稀释法筛选化合物对白色念珠菌和黑曲霉的抗真菌作用。用MTT法测定它们对NIH / 3T3小鼠胚胎成纤维细胞的细胞毒性作用。在羊毛甾醇14的活性位点进行了分子对接研究