3-<4-(2-Pyrimidinyl)piperazinyl>-2-hydroxypropyl chloride | 180077-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-<4-(2-Pyrimidinyl)piperazinyl>-2-hydroxypropyl chloride
• 英文别名: 2-hydroxy-3-<4-(2-pyrimidinyl)-1-piperazinyl>propyl chloride；1-Chloro-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
• CAS: 180077-11-6
• 化学式: C₁₁H₁₇ClN₄O
• 分子量: 256.735
• InChiKey: DBUUSMFSAHZNOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  52.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-<4-(2-Pyrimidinyl)piperazinyl>-2-hydroxypropyl chloride 在 sodium hydroxide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 39.0h， 生成 5-[(4-嘧啶-2-基哌嗪-1-基)甲基]-4,5-二氢-1,3-恶唑-2-胺
  参考文献：
  名称：

  Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines

  摘要：

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.

  DOI：

  10.1016/0223-5234(92)90177-3
• 作为产物：
  描述：

  1-(2-嘧啶基)哌嗪 、 环氧氯丙烷 以 乙醇 为溶剂， 生成 3-<4-(2-Pyrimidinyl)piperazinyl>-2-hydroxypropyl chloride
  参考文献：
  名称：

  2-羟丙基-4-芳基哌嗪衍生物作为血清素能配体的合成、对接研究和药理学评价

  摘要：

  一系列新的降冰片烯和外切- ñ -羟基-7-氧杂双环〔2.2.1〕制备庚-5-烯-2,3-二羧酰亚胺衍生物，以及它们的亲和力的5-HT 1A，5-HT 2A，对 5-HT 2C受体和 5-HT 2C受体进行评估，并与之前合成的一系列以相同核为特征的衍生物进行比较，以确定亚型受体的选择性配体。芳基哌嗪是最重要的 5-HT 1A类别之一R 配体和新衍生物的研究一直集中在该药效团的一个或多个部分的修饰上。The combination of structural elements (heterocyclic nucleus, hydroxyalkyl chain, and 4‐substituted piperazine), known to be critical for the affinity to 5‐HT 1A receptors, and the proper selection of

  DOI：

  10.1002/ardp.202000414

文献信息

• Sladowska; Potoczek; Rajtar, Il Farmaco, 1996, vol. 51, # 6, p. 431 - 436
  作者：Sladowska、Potoczek、Rajtar、Sieklucka-Dziuba、Mlynarczyk、Kleinrok

  DOI：——

  日期：——
• Investigations on the synthesis and pharmacological properties of N-substituted derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones
  作者：Helena Śladowska、Barbara Filipek、Dominika Szkatuła、Jacek Sapa、Marek Bednarski、Marta Ciołkowska

  DOI：10.1016/j.farmac.2004.08.011

  日期：2005.1

  Synthesis of N-substituted derivatives of 4-alkoxy-6-methyl-1H-pyrrolo[3,4-c]pyridine-1,3(2H)-diones (10-14, 18-21) is described. In the "writhing syndrome" test all compounds studied exhibited potent analgesic activity which was superior than that of acetylsalicylic acid. In the "hot plate" test imides 10, 12, 13, 18-20 acted also stronger than aspirin. Furthermore all compounds tested significantly suppressed the spontaneous locomotor activity of mice and prolonged barbiturate sleep of these animals.
• Sladowska; Potoczek; Rajtar, Acta poloniae pharmaceutica, 1996, vol. 53, # 6, p. 417 - 424
  作者：Sladowska、Potoczek、Rajtar、Sieklucka-Dziuba、Zolkowska、Kleinrok

  DOI：——

  日期：——
• Synthesis and antidepressant activity of 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines
  作者：JJ Bosc、C Jarry、A Carpy、E Panconi、P Descas

  DOI：10.1016/0223-5234(92)90177-3

  日期：1992.8

  The synthesis of 20 5-(1-aryl-4-piperazino)methyl-2-amino-2-oxazolines is described. Antidepressant activity was observed in mice using classical screening tests. Structure-activity relationships were studied and correlated with the nature of the aromatic substituent. Preliminary lipophilic and electronic properties of one lead compound (COR 3224) have been described.
• Synthesis, docking studies, and pharmacological evaluation of 2‐hydroxypropyl‐4‐arylpiperazine derivatives as serotoninergic ligands
  作者：Elisa Magli、Ewa Kędzierska、Agnieszka A. Kaczor、Anna Bielenica、Beatrice Severino、Ewa Gibuła‐Tarłowska、Jolanta H. Kotlińska、Angela Corvino、Rosa Sparaco、Giovanna Esposito、Stefania Albrizio、Elisa Perissutti、Francesco Frecentese、Anna Leśniak、Magdalena Bujalska‐Zadrożny、Marta Struga、Raffaele Capasso、Vincenzo Santagada、Giuseppe Caliendo、Ferdinando Fiorino

  DOI：10.1002/ardp.202000414

  日期：2021.5

  A new series of norbornene and exo‐N‐hydroxy‐7‐oxabicyclo[2.2.1]hept‐5‐ene‐2,3‐dicarboximide derivatives was prepared, and their affinities to the 5‐HT1A, 5‐HT2A, and 5‐HT2C receptors were evaluated and compared with a previously synthesized series of derivatives characterized by the same nuclei, to identify selective ligands for the subtype receptors. Arylpiperazines represent one of the most important

  一系列新的降冰片烯和外切- ñ -羟基-7-氧杂双环〔2.2.1〕制备庚-5-烯-2,3-二羧酰亚胺衍生物，以及它们的亲和力的5-HT 1A，5-HT 2A，对 5-HT 2C受体和 5-HT 2C受体进行评估，并与之前合成的一系列以相同核为特征的衍生物进行比较，以确定亚型受体的选择性配体。芳基哌嗪是最重要的 5-HT 1A类别之一R 配体和新衍生物的研究一直集中在该药效团的一个或多个部分的修饰上。The combination of structural elements (heterocyclic nucleus, hydroxyalkyl chain, and 4‐substituted piperazine), known to be critical for the affinity to 5‐HT 1A receptors, and the proper selection of