2-(4-(3-methoxyphenyl)piperazin-1-yl)ethanamine | 93140-13-7

• 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: 2-(4-(3-methoxyphenyl)piperazin-1-yl)ethanamine
• 英文别名: 1-(2-Aminoethyl)-4-(3-methoxyphenyl)-piperazin；2-[4-(3-methoxy-phenyl)-piperazin-1-yl]-ethylamine；2-[4-(3-Methoxyphenyl)piperazin-1-YL]ethanamine
• CAS: 93140-13-7
• 化学式: C₁₃H₂₁N₃O
• mdl: MFCD11107301
• 分子量: 235.329
• InChiKey: RUUZUNGEVFHYQZ-UHFFFAOYSA-N

物化性质

• 沸点：
  388.0±42.0 °C(Predicted)
• 密度：
  1.079±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.538
• 拓扑面积：
  41.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-(3-methoxyphenyl)piperazin-1-yl)ethanamine 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 生成 3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]ethyl]furo[3,4-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  Furo[3,4-d]pyrimidine-2,4-dione derivatives with antihypertensive activity. Analogues of thienopyrimidine-2,4-diones

  摘要：

  DOI：

  10.1016/0223-5234(89)90033-0
• 作为产物：
  描述：

  1-(3-甲氧基苯基)哌嗪 在 potassium carbonate 、 肼 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 16.0h， 生成 2-(4-(3-methoxyphenyl)piperazin-1-yl)ethanamine
  参考文献：
  名称：

  UNC119-货物相互作用的小分子抑制。

  摘要：

  N-末端肉豆蔻酰化促进膜的结合和蛋白质（特别是Src家族激酶）的活性，但是其潜在机制才刚刚被人们理解。伴侣UNC119A / B调节N-肉豆蔻酰化蛋白的细胞分布和信号传导。UNC119-货物相互作用的选择性小分子调节剂将是无价的工具，但尚未有报道。我们在此报告了第一个UNC119-货物相互作用抑制剂squarunkin A的开发。SquarunkinA用IC 50选择性抑制代表Src激酶N端的肉豆蔻酰化肽与UNC119A的结合值为10 nm。它与细胞裂解物中的UNC119蛋白结合，并干扰Src激酶的激活。我们的研究结果表明，对UNC119-货物相互作用的小分子抑制可能为调节Src激酶的活性提供新的机会，而Src激酶的活性与直接抑制酶激酶的活性无关。

  DOI：

  10.1002/anie.201701905

文献信息

• Chemical Modifications on 4-Arylpiperazine-Ethyl Carboxamide Derivatives Differentially Modulate Affinity for 5-HT1A, D4.2, and α2A Receptors: Synthesis and In Vitro Radioligand Binding Studies
  作者：Amaury Graulich、Marc Léonard、Mélissa Résimont、Xi-Ping Huang、Bryan L. Roth、Jean-François Liégeois

  DOI：10.1071/ch09353

  日期：——

  A series of substituted 4-aryl-piperazine-ethyl heteroarylcarboxamides were prepared and tested in in vitro radioligand binding studies. The presence of a quinoxaline has a favourable impact in terms of serotonin 5-HT1A versus dopamine D4.2 receptor selectivity. Compounds with a 3-CF3 group at the distal phenyl ring are the most effective in terms of affinity and selectivity for 5-HT1A versus D4.2 receptors. A 4-phenyl-1,2,3,6-tetrahydropyridine in place of the corresponding 4-phenyl-piperazine side chain is also favourable not only for the affinity for 5-HT1A and D4.2 receptors but also in some cases for α 2A-adrenoceptors.

  我们制备了一系列取代的 4-芳基哌嗪-乙基杂芳基羧酰胺，并在体外放射性配体结合研究中进行了测试。喹喔啉的存在对血清素 5-HT1A 与多巴胺 D4.2 受体的选择性具有有利影响。就对 5-HT1A 受体和 D4.2 受体的亲和力和选择性而言，远端苯环上带有 3-CF3 基团的化合物最为有效。用 4-苯基-1,2,3,6-四氢吡啶取代相应的 4-苯基-哌嗪侧链也不仅有利于提高对 5-HT1A 和 D4.2 受体的亲和力，而且在某些情况下还有利于提高对 α 2A 肾上腺素受体的亲和力。
• Isoxazole Derivatives and Use Thereof
  申请人：Cho Jeong Woo

  公开号：US20090131336A1

  公开（公告）日：2009-05-21

  Disclosed herein are isoxazole derivaties and uses thereof. Serving as agonists of Wnt, the isoxazole derivatives activate Wnt/β-catenin signaling and thus can be used in the treatment and prevention of diseases related to the signal transduction. Also, pharmaceutically acceptable salts of the isoxazole derivatives are disclosed.

  本文披露了异噁唑衍生物及其用途。作为Wnt的激动剂，异噁唑衍生物激活Wnt/β-连环蛋白信号传导，因此可用于治疗和预防与信号传导相关的疾病。此外，还披露了异噁唑衍生物的药用盐。
• 3-Imidazolyl-Indoles for the Treatment of Proliferative Diseases
  申请人：Boettcher Andreas

  公开号：US20100125064A1

  公开（公告）日：2010-05-20

  The invention relates to 3-heterocyclyl indolyl compounds capable of inhibiting the interaction between p53, or variants thereof, and MDM2 and/or MDM4, or variants thereof, respectively, said compounds having the formula I, wherein R 1 , R 2 , R 3 , R 4 , R A , Y and Y are as defined in the specification. Due to their activity, the compounds are useful in the treatment of various disorders and diseases mediated by the activity of MDM2 and/or MDM4, or variants thereof, such as inflammatory or proliferative diseases or in the protection of cells.

  本发明涉及能够抑制p53或其变体与MDM2和/或MDM4或其变体相互作用的3-杂环基吲哚化合物，其中所述化合物具有式I，其中R1、R2、R3、R4、RA、Y和Y的定义见说明书。由于其活性，这些化合物可用于治疗由MDM2和/或MDM4或其变体介导的各种疾病和疾病，例如炎症性或增殖性疾病或细胞保护。
• Furo (3,4-d) pyrimidine-2, 4-dione derivatives and intermediates thereof
  申请人：ORTHO PHARMACEUTICAL CORPORATION

  公开号：EP0244175A2

  公开（公告）日：1987-11-04

  The synthesis of furo[3,4-d]pyrimidine-2,4-dione derivatives and their urea intermediates is described. The novel urea intermediates and furo[3,4-d]pyrimidine-2,4-dione derivatives are general vasodilating agents and antihypertensive agents. The compounds are useful as cardiovascular agents.

  介绍了呋喃并[3,4-d]嘧啶-2,4-二酮衍生物及其脲中间体的合成。 新型脲中间体和呋喃并[3,4-d]嘧啶-2,4-二酮衍生物是一般的血管扩张剂和降压药。 这些化合物可用作心血管药物。
• Pharmacophore-based design, synthesis, biological evaluation, and 3D-QSAR studies of aryl-piperazines as α1-adrenoceptor antagonists
  作者：Min-Yong Li、Hao Fang、Lin Xia

  DOI：10.1016/j.bmcl.2005.05.003

  日期：2005.7

  Phenyl-piperazines were designed and synthesized based on pharmacophore for uro-selective alpha(1)-adrenoceptor antagonists and 3D chemical database searching. Within this series, three compounds, 2, 3, and 13, showed similar or better alpha(1)-AR antagonistic activity compared with prazosin. The 3D-QSAR study of these compounds may provide useful information for the development of novel aryl-piperazines as uro-selective alpha(1)-adrenoceptor antagonists, which can be used for the treatment of BPH with fewer side effects. (c) 2005 Elsevier Ltd. All rights reserved.