5-(6-Amino-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-pentanoic acid | 85301-44-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 5-(6-Amino-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-pentanoic acid
• 英文别名: 5-(4-Amino-6-hydroxy-2-mercapto-5-pyrimidinyl)pentanoic acid；5-(6-amino-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)pentanoic acid
• CAS: 85301-44-6
• 化学式: C₉H₁₃N₃O₃S
• 分子量: 243.287
• InChiKey: DXKYVZIEYSQADK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  137
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  diethyl 2-cyanoheptanedioate 在 sodium hydroxide 、 sodium methylate 作用下， 以 甲醇 、 水 为溶剂， 反应 5.0h， 生成 5-(6-Amino-4-oxo-2-thioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-pentanoic acid
  参考文献：
  名称：

  Substituted ω-(4-oxo-3,4-dihydro-5-pyrimidinyl) alkanoic acids, their derivatives and analogues

  摘要：

  将胍与二乙基2-甲酰基丁二酸酯（XI）、二乙基2-氰基丁二酸酯（XII）、二乙基2-氰基庚二酸酯（XIII）、乙基6,6-二氰基己酸酯（XIV）或二乙基6,6-二氰基十一酸酯（XV）缩合，然后水解生成的酯，得到相应的取代的ω-（2-氨基-5-嘧啶基）脂肪酸（II、V、VI、IX和X）。类似地，酯XIII与脲或硫脲缩合后，得到酸VII和VIII。酸II转化为其乙酰和丁酰酯（III和IV）。所制备的化合物在实验性肿瘤小鼠中未显示出显着的抗肿瘤效果。

  DOI：

  10.1135/cccc19830292

文献信息

• BERAN, M.;CERNY, A.;KREPELKA, J.;VACHEK, J., COLLECT. CZECH. CHEM. COMMUN., 1983, 48, N 1, 292-298
  作者：BERAN, M.、CERNY, A.、KREPELKA, J.、VACHEK, J.

  DOI：——

  日期：——
• ANTIMICROBIAL GEL CONTAINING SILVER NANOPARTICLES
  申请人：OTAGO INNOVATION LIMITED

  公开号：US20190000759A1

  公开（公告）日：2019-01-03

  A gel comprising nano-sized particles of metallic silver (Ag), a polymer comprising carboxylate groups, carboxylate molecules comprising at least one group capable of binding to Ag, and metal ions, where the gel is useful as a topically applied antimicrobial agent.
• [EN] ANTIMICROBIAL GEL CONTAINING SILVER NANOPARTICLES<br/>[FR] GEL ANTIMICROBIEN CONTENANT DES NANOPARTICULES D'ARGENT
  申请人：MELEDANDRI CARLA JOY

  公开号：WO2017061878A1

  公开（公告）日：2017-04-13

  A gel comprising nano-sized particles of metallic silver (Ag), a polymer comprising carboxylate groups, carboxylate molecules comprising at least one group capable of binding to Ag, and metal ions, where the gel is useful as a topically applied antimicrobial agent.
• [EN] GLASS IONOMER CEMENT CONTAINING SILVER NANOPARTICLES<br/>[FR] CIMENT VERRE IONOMÈRE CONTENANT DES NANOPARTICULES D'ARGENT
  申请人：OTAGO INNOVATION LTD

  公开号：WO2018217104A1

  公开（公告）日：2018-11-29

  The present invention relates to a glass ionomer cement comprising: (i) nanoparticles of metallic silver (Ag); (ii) a polymer comprising carboxylate groups; (iii) bridging molecules comprising at least one group capable of binding to Ag; (iv) metal ions; and (v) aluminosilicate particles; wherein at least some of the aluminosilicate particles are bound to the polymer through a linking structure of the following general formula: polymer-M-B-Ag-B-M-aluminosilicate where M is a metal ion, B is a bridging molecule, and Ag is a silver nanoparticle. The invention further relates to a dental preparation product comprising a liquid phase and a solid phase separated from each other, wherein the liquid phase comprises: (i) nanoparticles of metallic silver; (ii) a polymer comprising carboxylate groups; and (iii) bridging molecules comprising at least one group capable of binding to Ag; and wherein the solid phase comprises particles of an aluminosilicate compound.