thymine acetic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: thymine acetic acid
• 英文别名: acetic acid;5-methyl-1H-pyrimidine-2,4-dione
• 化学式: C₂H₄O₂*C₅H₆N₂O₂
• 分子量: 186.167
• InChiKey: UGJJZVWTUBNETA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.54
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  95.5
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  thymine acetic acid 、 N-Boc-L-Serine(OTHP) OIb 、 N-tert-Butyloxycarbonyl-N-[[(2-isobutyryl)oxy[ethyl[-O-benzylhydroxylamine 、 N-tert-Butyloxycarbonyl-N-[[(2-isobutyryl)oxy]ethyl]-O-benzylhydroxylamine 、 Leu-Ser-p-nitro-Phe-Nle-Ala-Leu-OMe*TFA 、 氯甲酸异丁酯 生成 N-(Thyminylacetyl)-N-[[(2-isobutyryl)oxy]ethyl]-O-benzylhydroxylamine
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• PEPTIDE NUCLEIC ACID MONOMER AND A PREPARATION METHOD
  申请人：AMRITA VISHWA VIDYAPEETHAM

  公开号：US20180354911A1

  公开（公告）日：2018-12-13

  The disclosure in various embodiments is related to a peptide nucleic acid monomer (VI) and an improved process for preparation of PNA (VI) using nosyl-group containing starting material. The process includes reacting amino acid with a nosyl group. The nosyl protected amino acid is alkylated with 2-(Boc-amino)ethyl bromide to obtain an intermediate. The nosyl group of the obtained intermediate is removed to form a PNA backbone. The PNA backbone upon addition of a modified nucleobase results in the formation of a PNA monomer (VI). The obtained PNA monomer exhibits either chiral or achiral geometric properties.

  各种实施例中的披荷核酸单体（VI）及利用含有诺磺基起始物制备PNA（VI）的改进工艺相关的披荷核酸单体（VI）及其改进工艺。该工艺包括将氨基酸与诺磺基反应。诺磺保护氨基酸与2-（Boc-氨基）乙基溴烷烷基化以获得中间体。所得中间体的诺磺基被移除以形成PNA骨架。在添加修饰的核碱基后，PNA骨架形成PNA单体（VI）。所得PNA单体表现出手性或无手性几何特性。
• Supramolecular Nanofibers and Hydrogels Based on Nucleic Acids Functionalized with Nucleobases
  申请人：Xu Bing

  公开号：US20140148410A1

  公开（公告）日：2014-05-29

  Disclosed are nucleopeptide compounds that include a nucleobase, and an amino acid. Certain compounds further comprise a glycoside. The compounds may self-assemble to form supramolecular hydrogels. Also, the compounds may be used as a platform to examine specific biological functions (e.g., binding to DNA and RNA) of a dynamic supramolecular system that is able to interact with both proteins and nucleic acids. Other uses include: methods of growing cells and methods of delivering a substance to a cell.

  本发明涉及核肽化合物，包括核碱基和氨基酸。某些化合物进一步包括糖苷。这些化合物可以自组装形成超分子水凝胶。此外，这些化合物可以用作检查动态超分子系统的特定生物功能（例如，与DNA和RNA结合）的平台，该系统能够与蛋白质和核酸相互作用。其他用途包括：细胞生长方法和向细胞传递物质的方法。
• Supramolecular nanofibers and hydrogels based on nucleic acids functionalized with nucleobases
  申请人：Brandeis University

  公开号：US10093674B2

  公开（公告）日：2018-10-09

  Disclosed are nucleopeptide compounds that include a nucleobase, and an amino acid. Certain compounds further comprise a glycoside. The compounds may self-assemble to form supramolecular hydrogels. Also, the compounds may be used as a platform to examine specific biological functions (e.g., binding to DNA and RNA) of a dynamic supramolecular system that is able to interact with both proteins and nucleic acids. Other uses include: methods of growing cells and methods of delivering a substance to a cell.

  所公开的核肽化合物包括一个核碱基和一个氨基酸。某些化合物还包括一种糖苷。这些化合物可以自组装形成超分子水凝胶。此外，这些化合物还可用作研究动态超分子系统的特定生物功能（如与 DNA 和 RNA 的结合）的平台，这种动态超分子系统能够与蛋白质和核酸相互作用。其他用途包括：细胞生长方法和向细胞输送物质的方法。
• Peptide nucleic acid monomer and a preparation method
  申请人：AMRITA VISHWA VIDYAPEETHAM

  公开号：US10421728B2

  公开（公告）日：2019-09-24

  The disclosure in various embodiments is related to a peptide nucleic acid monomer (VI) and an improved process for preparation of PNA (VI) using nosyl-group containing starting material. The process includes reacting amino acid with a nosyl group. The nosyl protected amino acid is alkylated with 2-(Boc-amino)ethyl bromide to obtain an intermediate. The nosyl group of the obtained intermediate is removed to form a PNA backbone. The PNA backbone upon addition of a modified nucleobase results in the formation of a PNA monomer (VI). The obtained PNA monomer exhibits either chiral or achiral geometric properties.

  本公开在不同的实施例中涉及一种肽核酸单体（VI）和一种使用含对甲基苯磺酸基团的起始材料制备 PNA（VI）的改进工艺。该工艺包括使氨基酸与对甲基苯磺酸基团反应。受 Nosyl 保护的氨基酸与 2-(叔丁氧羰基氨基)乙基溴进行烷基化反应，得到中间体。去除所得到的中间体的 Nosyl 基团，形成 PNA 主干。PNA 主干在加入改性核碱基后形成 PNA 单体 (VI)。得到的 PNA 单体具有手性或非手性几何特性。
• PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS
  申请人：ISIS PHARMACEUTICALS, INC.

  公开号：EP0739335A1

  公开（公告）日：1996-10-30