1-(3-甲基-1-哌嗪基)乙酮 | 314729-14-1

• 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-甲基-1-哌嗪基)乙酮
• 英文名称: 1-(3-methylpiperazin-1-yl)ethanone
• 英文别名: 1-acetyl-3-methylpiperazine；1-(3-Methylpiperazin-1-yl)ethan-1-one
• CAS: 314729-14-1
• 化学式: C₇H₁₄N₂O
• mdl: MFCD16811439
• 分子量: 142.201
• InChiKey: BRAYYCBKNOERRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  261.3±33.0 °C(Predicted)
• 密度：
  0.982±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.857
• 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
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  1-(3-甲基-1-哌嗪基)乙酮 在 1,1'-双(二苯膦基)二茂铁二氯化钯(II)二氯甲烷复合物 、 potassium carbonate 、 caesium carbonate 作用下， 以 水 、 二甲基亚砜 、 乙腈 为溶剂， 生成 1-(3-methyl-4-(3-(4-nitrophenyl)pyrazin-2-yl)piperazin-1-yl)ethanone
  参考文献：
  名称：

  [EN] NOVEL COMPOUNDS AS ROR GAMMA MODULATORS
  [FR] NOUVEAUX COMPOSÉS UTILISÉS EN TANT QUE MODULATEURS DE ROR GAMMA

  摘要：

  本公开涉及式(I)的化合物及其药用盐，其中环A、环B、L、R1、R2、R3、R4、R5、Ra、Rb、n、m、p和q如本文所定义，这些化合物作为视黄酸相关孤儿受体γt（RORγt）调节剂具有活性。这些化合物可以预防、抑制或抑制RORγt的作用，因此在治疗RORγt介导的疾病、紊乱、综合症或症状方面具有用处，例如疼痛、炎症、慢性阻塞性肺病（COPD）、哮喘、类风湿性关节炎、结肠炎、多发性硬化症、牛皮癣、神经退行性疾病和癌症。

  公开号：

  WO2017021879A1
• 作为产物：
  描述：

  2-甲基哌嗪 、 乙酸酐 以 二氯甲烷 为溶剂， 生成 1-(3-甲基-1-哌嗪基)乙酮
  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] NOVEL HEPATITIS C VIRUS INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DU VIRUS DE L'HÉPATITE C
  申请人：MEDIVIR AB

  公开号：WO2013095275A1

  公开（公告）日：2013-06-27

  The invention provides compounds of formula (I): wherein Rings A and A' are independently 5-membered optionally substituted aromatic heterocycles; Q is C(=O)NR1R1' or formula U is C(R4)2, O, S, S(=O)2, C(R4)2C(R4)2, CH2O, OCH2, CH2S, SCH2, CH2S(=O)2, S(=O)CH2 or C=C(Ru )2; X is CH2, CHR12, CR12R12, O, S, S(=O)2 or NRx; m is 0, 1, 2 or 3; n is 0, 1, 2 or 3; the other variables are as defined in the claims, which are of use in the treatment or prophylaxis of hepatitis C virus infection, and related aspects.

  本发明提供了式(I)的化合物：其中环A和A'独立地是5个成员的可选取代的芳香杂环；Q是C(=O)NR1R1'或式U是C(R4)2，O，S，S(=O)2，C(R4)2C(R4)2，CH2O，OCH2，CH2S，SCH2，CH2S(=O)2，S(=O)CH2或C=C(Ru)2；X是CH2，CHR12，CR12R12，O，S，S(=O)2或NRx；m是0，1，2或3；n是0，1，2或3；其他变量如权利要求中所定义，用于治疗或预防丙型肝炎病毒感染，以及相关方面。
• [EN] INDAZOLONES AS MODULATORS OF TNF SIGNALING<br/>[FR] INDAZOLONES UTILISÉES EN TANT QUE MODULATEURS DE LA SIGNALISATION DU TNF
  申请人：ABBVIE INC

  公开号：WO2016168633A1

  公开（公告）日：2016-10-20

  The disclosure provides indazolone compounds, pharmaceutically acceptable salts, pro-drugs, biologically active metabolites, stereoisomers and isomers thereof wherein the variables are defined herein. The compounds of the disclosure may be useful for treating immunological and oncological conditions.

  该披露提供了吲唑酮化合物、药用可接受的盐、前药、生物活性代谢物、立体异构体和同分异构体，其中变量在此处定义。该披露的化合物可能对治疗免疫和肿瘤疾病有用。
• N-Acyl-4,5-dihydro-4,4-dimethyl-N-methyl-2-thiazolamine as a chemoselective acylating agent
  作者：Taek Hyeon Kim、Garp-Yeol Yang

  DOI：10.1016/s0040-4039(02)02414-0

  日期：2002.12

  2-Methylamino-2-thiazoline reacted with alkyl acyl halides to produce N-acyl-2-methylamino-2-thiazolines, exo-acylated product regioselectively, which were found to be highly chemoselective acylating agents for primary amine in the presence of secondary amine and for the less sterically hindered of two different primary amines.

  2-甲基氨基-2-噻唑啉与烷基酰卤反应以产生Ñ酰基-2-甲基氨基-2-噻唑啉，外切-acylated产品区域选择性，这被认为是在仲胺的存在下伯胺高度化学选择性的酰化剂以及两种不同的伯胺在空间上受阻较小。
• [EN] 6-(4-HYDROXY-PHENYL)-3-ALKYL-1H-PYRAZOLO[3,4-B]PYRIDINE-4-CARBOXYLIC ACID AMIDE DERIVATIVES AS KINASE INHIBITORS<br/>[FR] DÉRIVÉS D'AMIDE D'ACIDE 6-(4-HYDROXYPHÉNYL)-3-ALKYL-1H-PYRAZOLO[3,4-B] PYRIDINE-4-CARBOXYLIQUE UTILISÉS COMME INHIBITEURS DE KINASE
  申请人：SANOFI SA

  公开号：WO2013045413A1

  公开（公告）日：2013-04-04

  The present invention relates to pyrazolo[3,4-b]pyridine compounds of the formula (I), in which R1, R2, R3, R4, R5, R6 and R7 are defined as indicated below. The compounds of the formula (I) are protein kinase C (PKC) inhibitors, and are useful for the treatment of diseases associated with diabetes and diabetic complications, such as, diabetic nephropathy, diabetic neuropathy and diabetic retinopathy, for example. The invention furthermore relates to the use of compounds of the formula, in particular as active ingredients in pharmaceuticals, and pharmaceutical compositions comprising them.

  本发明涉及式(I)的吡唑并[3,4-b]吡啶化合物，其中R1、R2、R3、R4、R5、R6和R7如下所示。式(I)的化合物是蛋白激酶C（PKC）抑制剂，并且对于治疗与糖尿病和糖尿病并发症相关的疾病，例如糖尿病肾病、糖尿病神经病和糖尿病视网膜病变等，非常有用。此外，本发明还涉及使用该式化合物，特别是作为药物中的活性成分，以及包含它们的制药组合物。
• Therapeutic Compounds 570
  申请人：Bayrakdarian Malken

  公开号：US20090099195A1

  公开（公告）日：2009-04-16

  Compounds of formula I or pharmaceutically acceptable salts thereof: wherein R 1 , R 2 , R 3 , R 4 , and R 5 and are as defined in the specification as well as salts and pharmaceutical compositions including the compounds are prepared. They are useful in therapy, in particular in the management of pain.

  公式I的化合物或其药学上可接受的盐：其中R1、R2、R3、R4和R5如规范中所定义，以及制备包括这些化合物的盐和药物组合物。它们在治疗中有用，特别是在疼痛管理方面。