1-己酰基哌嗪 | 18903-05-4

• 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-己酰基哌嗪
• 英文名称: 1-hexanoylpiperazine
• 英文别名: 1-Hexanoyl-piperazin；1-piperazin-1-ylhexan-1-one
• CAS: 18903-05-4
• 化学式: C₁₀H₂₀N₂O
• mdl: MFCD04973345
• 分子量: 184.282
• InChiKey: ZVWWNYWKAQNQTM-UHFFFAOYSA-N

物化性质

• 沸点：
  316.3±35.0 °C(Predicted)
• 密度：
  0.965±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R22,R36
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1-己酰基哌嗪 、 4-(苄氧基)-2-(氯甲基)-3-甲基喹啉 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 4-(benzyloxy)-2-[(4-hexanoylpiperazin-1-yl)methyl]-3-methylquinoline
  参考文献：
  名称：

  EP2194044

  摘要：

  公开号：
• 作为产物：
  描述：

  己酰氯 在 10percent Pd/C 氢气 、 三乙胺 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、324.06 kPa 条件下， 反应 16.0h， 生成 1-己酰基哌嗪
  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] N- (1, 1, 1, 3, 3, 3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL) BENZYL-N' -ARYLCARBONYLPIPERAZ INE DERIVATIVES<br/>[FR] DÉRIVÉS DE N-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)BENZYL-N'-ARYLCARBONYLPIPÉRAZINE
  申请人：ORGANON NV

  公开号：WO2009138438A1

  公开（公告）日：2009-11-19

  101 Abstract. The present invention relates tohexafluoroisopropanol derivativeshaving the general formula I X O N N Y OH F 3 C CF 3 A R 1 R 2 R 3 ( ) n W Z B R 6 5 Formula I to pharmaceutical compositions comprising the same and to the use of these hexafluoroisopropanol derivatives inthe treatment of atherosclerosis

  本发明涉及具有一般式I X O N N Y OH F 3 C CF 3 A R 1 R 2 R 3 ( ) n W Z B R 6 5的六氟异丙醇衍生物，以及包含这些六氟异丙醇衍生物的药物组合物，以及在治疗动脉粥样硬化中使用这些六氟异丙醇衍生物。
• Studies on Crude Drugs Effective on Visceral Larva Migrans. Part XVI. Nematocidal Activity of Long Alkyl Chain Amides, Amines, and Their Derivatives on Dog Roundworm Larvae.
  作者：Fumiyuki KIUCHI、Satomi NISHZAWA、Hiromi KAWANISHI、Sayuri KINOSHITA、Hisanao OHSIMA、Akiyo UCHITANI、Noriko SEKINO、Miki ISHIDA、Kaoru KONDO、Yoshisuke TSUDA

  DOI：10.1248/cpb.40.3234

  日期：——

  activity of amides and amines having a long alkyl chain against the second-stage larva of dog roundworm, Toxocara canis, was examined. Long chain acyl amides with smaller substituents on the nitrogen showed stronger activity and the activity of cyclic amine amides was stronger than that of acyclic ones. In a series of homologous amides, the activity was dependent on the alkyl chain length: it reached

  检查了具有长烷基链的酰胺和胺对犬round虫第二阶段幼虫的杀线虫活性。在氮上具有较小取代基的长链酰基酰胺显示出更强的活性，环状胺酰胺的活性强于无环酰胺。在一系列同源酰胺中，活性取决于烷基链长：在最佳链长处达到最大值，而在较短和较长的同系物中均降低。通过使用双线性模型分析了同系物的活性与疏水性之间的关系。对于所有中性酰胺，提供最大活性的化合物的疏水性均相似，但分子中具有额外胺基的酰胺具有不同的值。具有长烷基链的叔胺及其盐也具有与相应酰胺相当的杀线虫活性。这些盐以低于其临界胶束浓度的浓度杀死幼虫，表明它们表现为杀线虫作用的单个分子。
• [EN] N-BENZYL, N' -ARYLCARBONYLPIPERAZINE DERIVATIVES AS LXR MODULATORS<br/>[FR] DÉRIVÉS DE N-BENZYL, N'-ARYLCARBONYLPIPÉRAZINE
  申请人：ORGANON NV

  公开号：WO2009024550A1

  公开（公告）日：2009-02-26

  The present invention relates to N-benzyl,N' -arylcarbonylpiperazine derivatives having the general Formula (I) to pharmaceutical compositions comprising the same, and to the use of a these N-benzyl,N' -arylcarbonylpiperazine derivatives for the manufacture of a medicament for treating or preventing atherosclerosis and related disorders associated with cholesterol and bile acids transport and metabolism.

  本发明涉及具有通式（I）的N-苄基，N'-芳基羰基哌嗪衍生物，以及包含它们的药物组合物，以及利用这些N-苄基，N'-芳基羰基哌嗪衍生物制造用于治疗或预防与胆固醇和胆汁酸运输和代谢相关的动脉粥样硬化和相关疾病的药物。
• THIAZOLE COMPOUND AND USE THEREOF
  申请人：Otsuka Pharmaceutical Company, Limited

  公开号：EP1748044A1

  公开（公告）日：2007-01-31

  An object of the present invention is to provide a novel thiazole compound with specific inhibitory activity against phosphodiesterase 4. The present invention provides a compound represented by Formula (1), an optical isomer thereof, or a salt thereof: wherein R1 is a di-C1-6 alkoxyphenyl group; R2 is any one of the following groups (a) to (t): (a) a phenyl group; (b) a naphthyl group; (c) a pyridyl group; (d) a furyl group; (e) a thienyl group; (f) an isoxazolyl group; (g) a thiazolyl group; (h) a pyrrolyl group; (i) an imidazolyl group; (j) a tetrazolyl group; (k) a pyrazinyl group; (1) a thienothienyl group; (m) a benzothienyl group; (n) an indolyl group; (o) a benzimidazolyl group; (p) an indazolyl group; (q) a quinolyl group; (r) a 1,2,3,4-tetrahydroquinolyl group; (s) a quinoxalinyl group; and (t) a 1,3-benzodioxolyl group; and A is any one of the following groups (i) to (vi): (i) -CO-B- wherein B is a C1-6 alkylene group; (ii) -CO-Ba wherein Ba is a C2-6 alkenylene group; (iii) -CH(OH)-B-; (iv) -COCH(COOR3)-Bb- wherein R3 is a C1-6 alkyl group and Bb is a C1-6 alkylene group; and (v) -Bc- wherein Bc is a C2-6 alkylene group.

  本发明的目的是提供一种对磷酸二酯酶4具有特异抑制活性的新型噻唑化合物。本发明提供一种由式（1）表示的化合物，其光学异构体或盐：其中R1是二C1-6烷氧基苯基基团；R2是以下分组之一（a）至（t）中的任意一种：（a）苯基；（b）萘基；（c）吡啶基；（d）呋喃基；（e）噻吩基；（f）异氧唑基；（g）噻唑基；（h）吡咯基；（i）咪唑基；（j）四唑基；（k）吡嗪基；（l）噻吩噻吩基；（m）苯并噻吩基；（n）吲哚基；（o）苯并咪唑基；（p）吲哚基；（q）喹啉基；（r）1,2,3,4-四氢喹啉基；（s）喹啉基；和（t）1,3-苯并二氧杂环戊基；以及A是以下分组之一（i）至（vi）中的任意一种：（i）-CO-B-，其中B是C1-6烷基基团；（ii）-CO-Ba，其中Ba是C2-6烯基基团；（iii）-CH(OH)-B-；（iv）-COCH(COOR3)-Bb-，其中R3是C1-6烷基基团，Bb是C1-6烷基基团；和（v）-Bc-，其中Bc是C2-6烷基基团。
• Synthesis, antitumor evaluation and molecular docking studies of [1,2,4]triazolo[4,3- b ][1,2,4,5]tetrazine derivatives
  作者：Feng Xu、Zhen-zhen Yang、Jun-rong Jiang、Wan-gui Pan、Xiao-le Yang、Jian-yong Wu、Yan Zhu、John Wang、Qi-Yang Shou、Han-gui Wu

  DOI：10.1016/j.bmcl.2016.05.007

  日期：2016.7

  A series of [1,2,4]triazolo[4,3-b][1,2,4,5]tetrazine derivatives have been synthesized and evaluated for their antitumor activities. These compounds exhibited potent antiproliferative activities against MCF-7, Bewo and HL-60 cells and c-Met kinase inhibitory activities. Three compounds were highly effective against MCF-7, Bewo and HL-60 cells with IC50 values in 1.09-2.24μM. Molecular docking was further

  合成了一系列[1,2,4]三唑并[4,3-b] [1,2,4,5]四嗪衍生物并评估了其抗肿瘤活性。这些化合物对MCF-7，Bewo和HL-60细胞显示出有效的抗增殖活性，并具有c-Met激酶抑制活性。三种化合物对MCF-7，Bewo和HL-60细胞高度有效，IC50值为1.09-2.24μM。进一步进行分子对接研究抑制剂-c-Met激酶的相互作用，结果表明化合物4j通过三个氢键有效地结合到c-Met激酶上。对化合物4j对ICR（Institute of Cancer Research，小鼠）的急性毒性和体内抗肿瘤活性进行了进一步研究，发现4j具有一定的毒性，但在体内具有良好的疗效。根据初步结果，