1-tert-butylthymine | 76849-31-5

• 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: 1-tert-butylthymine
• 英文别名: 1-Tert-butyl-5-methylpyrimidine-2,4-dione
• CAS: 76849-31-5
• 化学式: C₉H₁₄N₂O₂
• 分子量: 182.222
• InChiKey: LBGKPBQZMSRGON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  胸腺嘧啶 在 水 作用下， 以 水 为溶剂， 生成 1-tert-butylthymine
  参考文献：
  名称：

  伯胺存在下胸腺嘧啶和胸腺嘧啶的光化学开环

  摘要：

  在叔丁胺的存在下于0°C照射胸腺嘧啶或胸腺嘧啶可提供开孔的光加合物3，在70°C加热后可定量得到1-叔丁基胸腺嘧啶（2）。已经描述了这种光交换反应与胺的合成应用。

  DOI：

  10.1016/s0040-4039(01)81880-3

文献信息

• SENSITIVE OLIGONUCLEOTIDE SYNTHESIS USING SULFUR-BASED FUNCTIONS AS PROTECTING GROUPS AND LINKERS
  申请人：Fang Shiyue

  公开号：US20210032281A1

  公开（公告）日：2021-02-04

  Embodiments for the synthesis of sensitive oligonucleotides as well as insensitive oligonucleotides are provided. Sulfur-based groups are used for the protection of exo-amino groups of nucleobases, phosphate groups and 2′-OH groups, and as cleavable linker for linking oligonucleotides to a support. Oligonucleotide syntheses are achieved under typical conditions using phosphoramidite chemistry with important modifications. To prevent replacing sulfur-based protecting groups by acyl groups via cap-exchange, special capping agents are used. To retain hydrophobic tag to assist RP HPLC purification, special phosphoramidites are used in the last synthetic cycle. With the sulfur-based groups for protection and linking, oligonucleotide deprotection and cleavage are achieved via oxidation followed by beta-elimination under mild conditions. Therefore, besides for insensitive oligonucleotide synthesis, the embodiments of the invention are capable for the synthesis of oligonucleotide analogs containing sensitive functional groups that cannot survive the harsh conditions used in prior art oligonucleotide synthesis technologies.

  本发明提供了用于合成敏感寡核苷酸和不敏感寡核苷酸的实施方案。使用基于硫的基团来保护核苷酸碱基的exo-氨基团、磷酸基团和2′-OH基团，并且作为可裂解的连接剂将寡核苷酸连接到支持物上。寡核苷酸的合成是在典型条件下使用磷酰亚胺化学进行的，并进行了重要的修改。为了防止通过帽交换将基于硫的保护基团替换为酰基，使用了特殊的封端剂。为了保留亲脂性标签以协助反相高效液相色谱（RP HPLC）纯化，在最后的合成周期中使用了特殊的磷酰亚胺。使用基于硫的基团进行保护和连接，寡核苷酸的脱保护和裂解是通过氧化随后在温和条件下进行beta-消除实现的。因此，除了用于不敏感寡核苷酸的合成外，本发明的实施方案还能够合成包含在先前的寡核苷酸合成技术中使用的严酷条件下无法存活的敏感功能团的寡核苷酸类似物。
• Nucleoside and Nucleotide Analogues with Quaternary Carbon Centers and Methods of Use
  申请人：Guindon Yvan

  公开号：US20100093737A1

  公开（公告）日：2010-04-15

  The present invention comprises compounds useful as antiviral or antitumor agents. The compounds comprise nucleotide analogues that comprise tetrahydrofuranyl or tetrahydrothienyl moeities with quaternary centers at the 3′ position. The nucleotide analogues can be used to inhibit cancer or viruses. Accordingly, the compounds of the present invention are useful for treating, preventing, and/or inhibiting diseases or conditions associated with cancers and viruses. Thus, the present invention also comprising pharmaceutical formulations comprising the compounds and methods of using the compounds and formulations to inhibit viruses or tumors and treat, prevent, or inhibit the foregoing diseases.

  本发明包括用作抗病毒或抗肿瘤剂的化合物。这些化合物包括含有四氢呋喃基或四氢噻吩基的核苷酸类似物，在3'位置具有季铵中心。核苷酸类似物可用于抑制癌症或病毒。因此，本发明的化合物对于治疗、预防、和/或抑制与癌症和病毒相关疾病或状况是有用的。因此，本发明还包括包含这些化合物的药物制剂以及使用这些化合物和制剂来抑制病毒或肿瘤，以及治疗、预防或抑制前述疾病的方法。
• [EN] TECHNOLOGIES USEFUL FOR OLIGONUCLEOTIDE PREPARATION<br/>[FR] TECHNOLOGIES UTILES POUR LA PRÉPARATION D'OLIGONUCLÉOTIDES
  申请人：WAVE LIFE SCIENCES LTD

  公开号：WO2020191252A1

  公开（公告）日：2020-09-24

  Among other things, the present disclosure provides technologies for oligonucleotide preparation, particularly chirally controlled oligonucleotide preparation, which technologies provide greatly improved crude purity and yield, and significantly reduce manufacturing costs.

  除其他事项外，本公开提供了寡核苷酸制备技术，特别是手性控制的寡核苷酸制备技术，这些技术大大提高了粗品纯度和产量，并显著降低了制造成本。
• COMPOSITIONS AND METHODS FOR ADOPTIVE CELL THERAPY FOR CANCER
  申请人：MEMORIAL SLOAN KETTERING CANCER CENTER

  公开号：US20200215111A1

  公开（公告）日：2020-07-09

  Provided herein are compositions and methods for adoptive cell therapy comprising engineered immune cells that express a tumor antigen-targeted chimeric antigen receptor and a prodrug converting enzyme.

  本文提供了一种包括表达肿瘤抗原靶向嵌合抗原受体和一种前药转化酶的工程免疫细胞的细胞治疗组合物和方法。
• PEPTIDE NUCLEIC ACID DERIVATIVES WITH GOOD CELL PENETRATION AND STRONG AFFINITY FOR NUCLEIC ACID
  申请人：Lee Jong-Ook

  公开号：US20110178031A1

  公开（公告）日：2011-07-21

  The present invention provides a novel class of peptide nucleic acid derivatives, which show good cell penetration and strong binding affinity for nucleic acid.

  本发明提供了一类新型的肽核酸衍生物，它们具有良好的细胞穿透性和对核酸的强结合亲和力。