(3-甲基哌嗪-1-基)-苯基甲基酮 | 75349-23-4

• 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: (3-甲基哌嗪-1-基)-苯基甲基酮
• 中文别名: (3-甲基-1-哌嗪)-苯甲酮
• 英文名称: 1-benzoyl-3-methylpiperazine
• 英文别名: (3-methylpiperazin-1-yl)-phenylmethanone
• CAS: 75349-23-4
• 化学式: C₁₂H₁₆N₂O
• 分子量: 204.272
• InChiKey: BCXBBYDLRSJZTE-UHFFFAOYSA-N

物化性质

• 沸点：
  129-131 °C(Press: 1-2 Torr)
• 密度：
  1.071±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  异氰酸对硝基苯 、 (3-甲基哌嗪-1-基)-苯基甲基酮 以 二氯甲烷 为溶剂， 以92%的产率得到4-benzoyl-2-methyl-1-[(4-nitrophenyl)aminocarbonyl]piperazine
  参考文献：
  名称：

  新的4-酰基-1-苯基氨基羰基-2-苯基哌嗪衍生物可作为腺病毒感染的潜在抑制剂。合成，生物学评估和构效关系

  摘要：

  寻找用于治疗免疫受损患者中的HAdV感染的人类腺病毒（HAdV）特异性抗病毒药物仍然是药物化学研究的一个挑战性目标。在这里，我们报告了一个小分子文库的合成，生物学评估以及结构-活性关系。我们已经确定了六种显着抑制HAdV感染的苯基哌嗪衍生物。这六个化合物显示出在低微摩尔浓度下具有阻断HAdV和人巨细胞病毒（HCMV）复制的能力，几乎没有或没有细胞毒性。根据我们的生物学研究，这些分子在生命周期的不同阶段阻断了HAdV和HCMV感染，为开发新的抗病毒药物家族提供了潜在的候选药物，以治疗DNA病毒感染。

  DOI：

  10.1021/acs.jmedchem.6b00300
• 作为产物：
  描述：

  2-甲基哌嗪 、 苯甲酰氯 在 碳酸氢钠 作用下， 以 丙酮 为溶剂， 反应 1.5h， 以59%的产率得到(3-甲基哌嗪-1-基)-苯基甲基酮
  参考文献：
  名称：

  Molecular Simplification of 1,4-Diazabicyclo[4.3.0]nonan-9-ones Gives Piperazine Derivatives That Maintain High Nootropic Activity

  摘要：

  Several 4-substituted 1-acylpiperazines, obtained by molecular simplification of 4-substituted 1,4-diazabicyclo[4.3.0]nonan-9-ones, have been synthesized and tested in vivo on the mouse passive avoidance test, to evaluate their nootropic activity. The results show that, apparently, an N-acylpiperazine group can mimic the 2-pyrrolidinone ring of 1,4-diazabicyclo[4.3.0]nonan-9-one, as the compounds of the new series maintain high nootropic activity. Moreover molecular simplification produces more clear-cut structure-activity relationships with respect to the parent series. The mechanism of action also appears to be similar in the two series. In fact, although the molecular mechanism remains to be elucidated, the most potent compound of each class (DM232 and 13, DM235) is able to increase acetylcholine release in rat brain. Piperazine derivatives represent a new class of nootropic drugs with an in vivo pharmacological profile very similar to that of piracetam, showing much higher potency with respect to the reference compound. Among the compounds studied, 13 (DM235) shows outstanding potency, being active at a dose of 0.001 mg kg(-1) sc.

  DOI：

  10.1021/jm000972h

文献信息

• [EN] TARGETED BIFUNCTIONAL DEGRADERS<br/>[FR] AGENTS DE DÉGRADATION BIFONCTIONNELS CIBLÉS
  申请人：UNIV YALE

  公开号：WO2021072269A1

  公开（公告）日：2021-04-15

  The present invention provides, in one aspect, bifunctional compounds that can be used to promote or enhance degradation of certain circulating proteins. In another aspect, the present invention provides bifunctional compounds that can be used to promote or enhance degradation of certain autoantibodies. In certain embodiments, treatment or management of a disease and/or disorder requires degradation, removal, or reduction in concentration of the circulating protein or the autoantibody in the subject. Thus, in certain embodiments, administration of a compound of the invention to the subject removes or reduces the circulation concentration of the circulating protein or the autoantibody, thus treating, ameliorating, or preventing the disease and/or disorder. In certain embodiments, the circulating protein is TNF.

  本发明在一个方面提供了可以用来促进或增强降解某些循环蛋白的双功能化合物。在另一个方面，本发明提供了可以用来促进或增强降解某些自身抗体的双功能化合物。在某些实施方式中，治疗或管理疾病和/或疾病需要降解、去除或减少受试者体内循环蛋白或自身抗体的浓度。因此，在某些实施方式中，将本发明的化合物给予受试者可去除或减少循环蛋白或自身抗体的循环浓度，从而治疗、改善或预防疾病和/或疾病。在某些实施方式中，循环蛋白是TNF。
• Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives
  申请人：——

  公开号：US20040110785A1

  公开（公告）日：2004-06-10

  This invention provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the invention is concerned with azaindoleoxoacetyl piperazine derivatives. These compounds possess unique antiviral activity, whether used alone or in combination with other antivirals, antiinfectives, immunomodulators or HIV entry inhibitors. More particularly, the present invention relates to the treatment of HIV and AIDS.

  这项发明提供了具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该发明涉及吡啶并咪唑酮乙酰基哌嗪衍生物。这些化合物具有独特的抗病毒活性，无论是单独使用还是与其他抗病毒药物、抗感染剂、免疫调节剂或HIV进入抑制剂结合使用。更具体地，本发明涉及治疗HIV和艾滋病。
• Piperazine derivatives
  申请人：Middleton Stuart Donald

  公开号：US20050043300A1

  公开（公告）日：2005-02-24

  This invention relates to a compound of formula (I) or pharmaceutically acceptable salts, solvates or derivatives thereof, wherein R 1 to R 5 are defined in the description, and to processes for the preparation thereof, intermediates used in their preparation, compositions containing them and the uses of such derivatives. The compounds of the present invention inhibit the interaction of gp120 with CD4 and are therefore of use in the treatment of HIV, a retroviral infection genetically related to HIV, or AIDS.

  这项发明涉及一种具有化学式(I)的化合物 或其药用可接受的盐、溶剂合物或衍生物，其中R 1 至R 5 在描述中有定义，并涉及其制备方法、制备中使用的中间体、含有它们的组合物以及这些衍生物的用途。 本发明的化合物抑制gp120与CD4的相互作用，因此在治疗HIV、与HIV有遗传关系的逆转录病毒感染或艾滋病方面有用。
• 2-Chloro-N,N-dibenzoylaniline: a Selective N-Benzoylating Reagent.
  作者：Kazuhiro KONDO、Yasuoki MURAKAMI

  DOI：10.1248/cpb.46.1217

  日期：——

  Highly selective benzoylation of a less hindered amino group in the presence of a more hindered amino group with 2-chloro-N, N-dibenzoylaniline (2d), a convenient to use and stable reagent, is described.

  描述了一种在更受阻的氨基存在的情况下，高选择性地对较少受阻的氨基进行苯甲酰化的方法，使用了2-氯-N,N-二苯甲酰胺基苯（2d），这是一种易于使用且稳定的试剂。
• Phthalazine compounds, compositions and methods of use
  申请人：Austin Richard J.

  公开号：US20090048259A1

  公开（公告）日：2009-02-19

  The present invention relates generally to compounds represented in Formula I, pharmaceutical compositions comprising them and methods of treating of diseases or disorders such as cancer.

  本发明一般涉及在式I中表示的化合物，包括它们的药物组合物以及治疗癌症等疾病或疾病的方法。