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.
• Substituted ω-(4-oxo-3,4-dihydro-5-pyrimidinyl) alkanoic acids, their derivatives and analogues
  作者：Miloš Beran、Antonín Černý、Jiří Křepelka、Jaroslav Vachek

  DOI：10.1135/cccc19830292

  日期：——

  Condensation of guanidine with diethyl 2-formylbutanedioate (XI), diethyl 2-cyanobutanedioate (XII), diethyl 2-cyanoheptanedioate (XIII), ethyl 6,6-dicyanohexanoate (XIV), or diethyl 6,6-dicyanoundecanedioate (XV), followed by hydrolysis of the esters formed, afforded the respective substituted ω-(2-amino-5-pyrimidinyl)alkanoic acids (II, V, VI, IX and X). Analogously, condensation of the ester XIII with urea or thiourea gave acids VII and VIII. The acid II was converted into its ethyl and butyl ester (III and IV, respectively). The compounds prepared showed no significant antineoplastic effects in mice with experimental tumours.

  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。