1-苯基四氢-2(1h)-嘧啶酮 | 56535-85-4

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 1-苯基四氢-2(1h)-嘧啶酮
• 英文名称: 1-phenyltetrahydropyrimidin-2-one
• 英文别名: 3,4,5,6-tetrahydro-1-phenylpyrimidin-2(1H)-one；1-Phenyl-3,4,5,6-tetrahydropyrimidin-2(1H)-one；1-Phenyl-2-oxo-hexahydropyrimidin；Phenyl-1-hexahydro-pyrimidon-2；1-Phenyl-3,4,5,6-tetrahydro-(2H)-pyrimidin-2-one；tetrahydro-3-phenylpyrimidin-2(1H)-one；1-Phenyl-tetrahydro-1H-pyrimidin-2-on；1-Phenyl-tetrahydro-pyrimidin-2-on；1-Phenyl-tetrahydro-2(1H)-pyrimidinone；1-phenyl-1,3-diazinan-2-one
• CAS: 56535-85-4
• 化学式: C₁₀H₁₂N₂O
• 分子量: 176.218
• InChiKey: UMIOVNLOMRBFII-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-苯基四氢-2(1h)-嘧啶酮 在 氯磺酸 、 三乙胺 作用下， 以 四氯化碳 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 2-propylphenyl 4-[tetrahydro-2-oxopyrimidin-1(2H)-yl]benzenesulfonate
  参考文献：
  名称：

  Design, Synthesis, Biological Evaluation, and Structure–Activity Relationships of Substituted Phenyl 4-(2-Oxoimidazolidin-1-yl)benzenesulfonates as New Tubulin Inhibitors Mimicking Combretastatin A-4

  摘要：

  Sixty-one phenyl 4-(2-oxoimidazolidin-1-yl)benzenesulfonates (PIB-SOs) and 13 of their tetrahydro-2-oxopyrimidin-1(2H)-yl analogues (PPB-SOs) were prepared and biologically evaluated. The antiproliferative activities of PIB-SOs on 16 cancer cell lines are in the nanomolar range and unaffected in cancer cells resistant to colchicine, paclitaxel, and vinblastine or overexpressing the P-glycoprotein. None of the PPB-SOs exhibit significant antiproliferative activity. PIB-SOs block the cell cycle progression in the G(2)/M phase and bind to the colchicine-binding site on beta-tubulin leading to cytoskeleton disruption and cell death. Chick chorioallantoic membrane tumor assays show that compounds 36, 44, and 45 efficiently block angiogenesis and tumor growth at least at similar levels as combretastatin A-4 (CA-4) and exhibit low to very low toxicity on the chick embryos. PIB-SOs were subjected to CoMFA and CoMSIA analyses to establish quantitative structure-activity relationships.

  DOI：

  10.1021/jm200488a
• 作为产物：
  描述：

  N-氨基丙基苯胺 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 1-苯基四氢-2(1h)-嘧啶酮
  参考文献：
  名称：

  3-(piperid-4-yl)-1,2-benzisoxazole and

  摘要：

  式中的化合物：##STR1##其中：A、m、n、E和Y如描述中所定义，其光学异构体及其生理耐受盐。这些化合物、它们的光学异构体和它们的生理耐受盐可用作治疗精神障碍、焦虑抑郁症和攻击性的药物。

  公开号：

  US05780474A1

文献信息

• DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS
  申请人：Wang Tao

  公开号：US20070249579A1

  公开（公告）日：2007-10-25

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with diketo piperazine and piperadine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.

  本公开提供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，该公开涉及具有独特抗病毒活性的二酮哌嗪和哌啶衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。
• Cyclic ureas as ortho directing substituents
  作者：Jon-Paul Meigh、Mercedes Álvarez、John A. Joule

  DOI：10.1039/b105420c

  日期：——

  Six-membered cyclic ureas are shown to have a weak ortho directing ability when linked through nitrogen to benzene and pyridine rings.

  六成员环脲在通过氮原子与苯环和吡啶环连接时显示出弱的邻位定向能力。
• Synthesis of N,N′-disubstituted ureas from carbamates
  作者：Anwer Basha

  DOI：10.1016/s0040-4039(00)86102-x

  日期：1988.1

  A simple synthesis of N,N′-disubstituted ureas from carbamates is described involving displacement of an alkoxy group by the magnesium salt of an amine generated in situ by treatment with ethylmagnesium bromide.

  描述了由氨基甲酸酯简单合成N，N′-二取代的脲的方法，该方法包括通过用乙基溴化镁处理原位产生的胺的镁盐置换烷氧基。
• COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY AND FIBROTIC DISORDERS
  申请人：Kossen Karl

  公开号：US20090318455A1

  公开（公告）日：2009-12-24

  Disclosed are compounds and methods for treating inflammatory and fibrotic disorders, including methods of modulating a stress activated protein kinase (SAPK) system with an active compound, wherein the active compound exhibits low potency for inhibition of the p38 MAPK; and wherein the contacting is conducted at a SAPK-modulating concentration that is at a low percentage inhibitory concentration for inhibition of the p38 MAPK by the compound. Also disclosed are derivatives and analogs of pirfenidone, useful for modulating a stress activated protein kinase (SAPK) system.

  公开了用于治疗炎症和纤维化疾病的化合物和方法，包括用活性化合物调节应激活化蛋白激酶（SAPK）系统的方法，其中活性化合物对p38 MAPK的抑制效力较低；并且其中接触是在SAPK调节浓度下进行的，该浓度对化合物抑制p38 MAPK的抑制浓度百分比较低。还公开了吡非尼酮的衍生物和类似物，它们可用于调节应激活化蛋白激酶（SAPK）系统。
• [EN] SUBSTITUTED 2-IMIDAZOLIDONES AND ANALOGS<br/>[FR] 2-IMIDAZOLIDONES SUBSTITUES ET ANALOGUES
  申请人：UNIV LAVAL

  公开号：WO2011100840A1

  公开（公告）日：2011-08-25

  Compounds of formula (I): wherein R1, R2, R3, R4, R7, R6, R7, R8, R9, A, X and Y as defined herein are provided as useful for the treatment of cancer or for the manufacture of anti-cancer agents.

  式（I）的化合物：其中所述的R1、R2、R3、R4、R7、R6、R7、R8、R9、A、X和Y如本文所定义的那样，被提供为用于治疗癌症或用于制造抗癌药物。

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