1-(1-oxopentyl)piperazine | 117905-47-2

• 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: 1-(1-oxopentyl)piperazine
• 英文别名: 1-pentanoylpiperazine；1-(piperazin-1-yl)pentan-1-one；1-Valeryl-piperazin；1-piperazin-1-ylpentan-1-one
• CAS: 117905-47-2
• 化学式: C₉H₁₈N₂O
• mdl: MFCD09808668
• 分子量: 170.255
• InChiKey: ANEMDFCFHXKSHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(1-oxopentyl)piperazine 、 4-氟苯磺酰氯 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 1-{4-[(4-Fluorophenyl)sulfonyl]piperazin-1-yl}pentan-1-one
  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
• 作为产物：
  描述：

  戊酰氯 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-(1-oxopentyl)piperazine
  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

• 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，
• NOVEL SULFAMOYL-PHENYL-UREIDO COMPOUNDS AND THEIR USE AS MEDICAMENT
  申请人：PEGORARO Stefano

  公开号：US20100197640A1

  公开（公告）日：2010-08-05

  The present invention relates to novel sulfamoyl-phenyl-ureido compounds having the formula (I) or a physiologically acceptable salt or derivative thereof which are suitable for the therapy of infections caused by protozoa and in particular uncomplicated or severe malaria caused by plasmodia.

  本发明涉及具有化学式（I）的新型磺胺酰基苯基脲类化合物或其生理上可接受的盐或衍生物，适用于治疗由原虫引起的感染，特别是由疟原虫引起的非并发或严重疟疾。
• Temperature-responsive polymer compound and process for producing the same
  申请人：Akiyama Yoshikatsu

  公开号：US20050224415A1

  公开（公告）日：2005-10-13

  A temperature-responsive polymer and polymer material which has ester bond(s) and/or acid amide bond(s) respectively at one or more sites in the side chain and can be arbitrarily controlled by varying the side chain is provided. The process for production thereof and the use thereof are also provided.

  提供了一种温度敏感的聚合物和聚合物材料，其在侧链中的一个或多个位置具有酯键和/或酸酰胺键，并且可以通过改变侧链任意控制。同时还提供了其生产过程和使用方法。
• Thiazole Compound and Use Thereof
  申请人：Takemura Isao

  公开号：US20080039511A1

  公开（公告）日：2008-02-14

  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-C 1-6 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; (l) 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 C 1-6 alkylene group; (ii) —CO—Ba wherein Ba is a C 2-6 alkenylene group; (iii) —CH(OH)—B—; (iv) —COCH(COOR3)-Bb- wherein R3 is a C 1-6 alkyl group and Bb is a C 1-6 alkylene group; and (v) -Bc- wherein Bc is a C 2-6 alkylene group.

  本发明的目的是提供一种具有特定磷酸二酯酶4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，其光学异构体或其盐：其中，R1是二C1-6烷氧基苯基基团；R2是以下(a)到(t)中的任意一种基团：(a)苯基；(b)萘基；(c)吡啶基；(d)呋喃基；(e)噻吩基；(f)异噁唑基；(g)噻唑基；(h)吡咯基；(i)咪唑基；(j)四唑基；(k)吡嗪基；(l)噻吩噻基；(m)苯并噻吩基；(n)吲哚基；(o)苯并咪唑基；(p)吲唑基；(q)喹啉基；(r)1,2,3,4-四氢喹啉基；(s)喹喔啉基；以及(t)1,3-苯并二氧杂环基；A是以下(i)到(vi)中的任意一种基团：(i) -CO-B-，其中B是C1-6烷基撑链基团；(ii) -CO-Ba，其中Ba是C2-6烯基撑链基团；(iii) -CH(OH)-B-；(iv) -COCH(COOR3)-Bb-，其中R3是C1-6烷基团，Bb是C1-6烷基撑链基团；以及(v) -Bc-，其中Bc是C2-6烷基撑链基团。