3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl)-4-methoxybenzaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl)-4-methoxybenzaldehyde
• 英文别名: 4-methoxy-3-uracilylmethylbenzaldehyde；3-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl)-4-methoxy-benzaldehyde；3-[(2,4-dioxopyrimidin-1-yl)methyl]-4-methoxybenzaldehyde
• 化学式: C₁₃H₁₂N₂O₄
• mdl: MFCD15515031
• 分子量: 260.249
• InChiKey: IVJPCOIUSCLLQY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.153
• 拓扑面积：
  75.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-hydroxy-5-(1H-imidazol-1-ylmethyl)acetophenone 、 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl)-4-methoxybenzaldehyde 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 24.0h， 以49%的产率得到(E)-1-(5-{3-[2-hydroxy-5-(1H-imidazol-1-ylmethyl)phenyl]-3-oxoprop-1-en-1-yl}-2-methoxybenzyl)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Synthesis and antimicrobial activity of chalcones containing benzotriazolylmethyl and imidazolylmethyl substituents

  摘要：

  Methods have been developed for the synthesis of new 1H-benzotriazol-1-ylmethyl- and 1H-imidazol-1-ylmethyl-substituted chalcones starting from 2-hydroxyacetophenone. The procedures include chloromethylation, N-alkylation, and Claisen-Schmidt condensation. The presence of an imidazole fragment on the ring A and piperazine fragment on the ring B of the resulting chalcones increases their antimicrobial activity (minimum inhibitory concentration 12.5-50.0 mu g/mL), whereas introduction of a benzotriazole fragment reduces the antimicrobial activity.

  DOI：

  10.1134/s1070428014120094
• 作为产物：
  描述：

  4-甲氧基苯甲醛 在 盐酸 、 (1-丁基)三乙基溴化铵 、 potassium carbonate 、 zinc(II) chloride 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 1.17h， 生成 3-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-ylmethyl)-4-methoxybenzaldehyde
  参考文献：
  名称：

  New Chalcones Containing 5-Fluorouracil Exhibiting in vitro Anti-Cancer Activity

  摘要：

  介绍了十四种新型含有5-氟尿嘧啶的查尔酮的合成及其细胞毒性评估，其中九种查尔酮作为曼尼基基础（8a-i）通过三步反应合成，包括氯甲基化、N-烷基化和克莱森-施密特反应。其他查尔酮（14a-e）则通过1,3-二丙炔基-5-氟尿嘧啶与2',4'-二羟基查尔酮的叠加反应获得。生物测定结果显示，11种查尔酮（不包括8d、8f和8h）对四种人类癌细胞系（包括Hep-G2、RD、LU-1和FL）表现出细胞毒性，其中化合物14e对Hep-G2、RD、LU-1和FL的细胞毒性最强，IC50值分别为1.48、10.59、3.64和7.02 μg/mL。

  DOI：

  10.2174/1570178612666150226230109

文献信息

• Bi-functional complexes and methods for making and using such complexes
  申请人：Gouliaev Alex Haahr

  公开号：US11225655B2

  公开（公告）日：2022-01-18

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.

  本发明涉及一种合成双功能复合物的方法，该复合物包括分子部分和识别分子部分的识别寡核苷酸部分。根据本发明的合成方法的一部分优选在一种或多种有机溶剂中进行，此时包含可选保护标签或寡核苷酸标识符的新生双功能复合物与固体支持物相连接，合成方法的另一部分优选在适合于将寡核苷酸标签酶加到溶液中的新生双功能复合物的条件下进行。
• BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Nuevolution A/S

  公开号：EP2558577B1

  公开（公告）日：2018-12-12
• BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES
  申请人：Gouliaev Alex Haahr

  公开号：US20130281324A1

  公开（公告）日：2013-10-24

  The present invention is directed to a method for the synthesis of a bi-functional complex comprising a molecule part and an identifier oligonucleotide part identifying the molecule part. A part of the synthesis method according to the present invention is preferably conducted in one or more organic solvents when a nascent bi-functional complex comprising an optionally protected tag or oligonucleotide identifier is linked to a solid support, and another part of the synthesis method is preferably conducted under conditions suitable for enzymatic addition of an oligonucleotide tag to a nascent bi-functional complex in solution.