4-(1,2,4-triazol-1-yl)-5'-O-(4,4'-dimethoxytriphenylmethyl)-3'-O-trimethylsilyl thymidine | 117032-49-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: 4-(1,2,4-triazol-1-yl)-5'-O-(4,4'-dimethoxytriphenylmethyl)-3'-O-trimethylsilyl thymidine
• 英文别名: 4-(1,2,4-triazol-1-yl)-5'-O-(4,4'-dimethoxytriphenylmethyl)-3'-O-trimethylsilylthymidine
• CAS: 117032-49-2
• 化学式: C₃₆H₄₁N₅O₆Si
• 分子量: 667.837
• InChiKey: WSSMPUJEKHZYFD-WIHCDAFUSA-N

物化性质

• 沸点：
  765.6±70.0 °C(Predicted)
• 密度：
  1.22±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.67
• 重原子数：
  48.0
• 可旋转键数：
  12.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  111.75
• 氢给体数：
  0.0
• 氢受体数：
  11.0

反应信息

• 作为反应物：
  描述：

  4-(1,2,4-triazol-1-yl)-5'-O-(4,4'-dimethoxytriphenylmethyl)-3'-O-trimethylsilyl thymidine 在 氨 作用下， 以 1,4-二氧六环 、 水 为溶剂， 以85%的产率得到5'-O-(4,4'-dimethoxytrityl)-2'-deoxy-5-methylcytidine
  参考文献：
  名称：

  Antisense modulation of G protein-coupled receptor 12 expression

  摘要：

  提供了用于调节G蛋白偶联受体12表达的反义物质、组合物和方法。这些组合物包括特别针对编码G蛋白偶联受体12的核酸的反义物质，特别是反义寡核苷酸。提供了利用这些化合物调节G蛋白偶联受体12表达以及治疗与G蛋白偶联受体12表达相关疾病的方法。

  公开号：

  US20040023384A1
• 作为产物：
  描述：

  保护胸苷 在 三氯氧磷 作用下， 以 乙腈 为溶剂， 反应 1.5h， 生成 4-(1,2,4-triazol-1-yl)-5'-O-(4,4'-dimethoxytriphenylmethyl)-3'-O-trimethylsilyl thymidine
  参考文献：
  名称：

  Oxygen Replacement with Selenium at the Thymidine 4-Position for the Se Base Pairing and Crystal Structure Studies

  摘要：

  The T-A and C-G base pairing and stacking allow the formation of the stable DNA duplex structure for genetic information storage, transcription, and replication. To replace the oxygen of the nucleotide nucleobases with selenium for the studies of the base-pair recognition, the duplex stability, and the nuclei acid crystal structures, we have synthesized for the first time the 4-Se thymidine phosphoramidite and incorporated it into oligonucleotides via solid-phase synthesis with high coupling yield (99%). The Se modification on the nucleobase is relatively stable under the elevated temperature. Using the dU(Se) (2'-Se-dU) to facilitate the crystallization, we have successfully crystallized the DNA containing the 4-Se-T substitution and determined its structure at 1.50 A resolution. The UV-melting and X-ray crystal structure studies have indicated that the Se substitution on the nucleobase does not cause a significant structure perturbation, the large Se atom on the thymine can be successfully accommodated by the DNA duplex, and the Se-mediated hydrogen bond (longer than the usual hydrogen bond) is formed within the modified T-A base pair. In addition, the Se derivatization on the nucleobases further facilitates X-ray crystal structure determination of nucleic acids and their protein complexes via Se MAD phasing.

  DOI：

  10.1021/ja0680919

文献信息

• Antisense modulation of resistin expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20040023383A1

  公开（公告）日：2004-02-05

  Antisense compounds, compositions and methods are provided for modulating the expression of resistin. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding resistin. Methods of using these compounds for modulation of resistin expression and for treatment of diseases associated with expression of resistin are provided.

  提供了用于调节抗性蛋白表达的反义化合物、组合物和方法。这些组合物包括针对编码抗性蛋白的核酸的反义化合物，特别是反义寡核苷酸。提供了利用这些化合物调节抗性蛋白表达以及治疗与抗性蛋白表达相关疾病的方法。
• Antisense modulation of perilipin expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20040029272A1

  公开（公告）日：2004-02-12

  Antisense compounds, compositions and methods are provided for modulating the expression of perilipin. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding perilipin. Methods of using these compounds for modulation of perilipin expression and for treatment of diseases associated with expression of perilipin are provided.

  提供了用于调节脂滴蛋白表达的反义化合物、组合物和方法。这些组合物包括特别针对编码脂滴蛋白的核酸的反义寡核苷酸。提供了使用这些化合物调节脂滴蛋白表达和治疗与脂滴蛋白表达相关的疾病的方法。
• Antisense modulation of EDG5 expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20040029274A1

  公开（公告）日：2004-02-12

  Antisense compounds, compositions and methods are provided for modulating the expression of EDG5. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding EDG5. Methods of using these compounds for modulation of EDG5 expression and for treatment of diseases associated with expression of EDG5 are provided.

  提供了用于调节EDG5表达的反义化合物、组合物和方法。这些组合物包括针对编码EDG5的核酸的反义化合物，特别是反义寡核苷酸。提供了使用这些化合物调节EDG5表达和治疗与EDG5表达相关疾病的方法。
• ANTISENSE MODULATION OF EDG1 EXPRESSION
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20040029273A1

  公开（公告）日：2004-02-12

  Antisense compounds, compositions and methods are provided for modulating the expression of EDG1. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding EDG1. Methods of using these compounds for modulation of EDG1 expression and for treatment of diseases associated with expression of EDG1 are provided.

  提供了用于调节EDG1表达的反义物质、组合物和方法。这些组合物包括针对编码EDG1的核酸的反义物质，特别是反义寡核苷酸。提供了使用这些化合物调节EDG1表达和治疗与EDG1表达相关疾病的方法。
• Antisense modulation of PPP3CB expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20040023382A1

  公开（公告）日：2004-02-05

  Antisense compounds, compositions and methods are provided for modulating the expression of PPP3CB. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding PPP3CB. Methods of using these compounds for modulation of PPP3CB expression and for treatment of diseases associated with expression of PPP3CB are provided.

  提供了用于调节PPP3CB表达的反义化合物、组合物和方法。这些组合物包括针对编码PPP3CB的核酸的反义化合物，特别是反义寡核苷酸。提供了使用这些化合物调节PPP3CB表达和治疗与PPP3CB表达相关疾病的方法。