benzoic acid 5-(4-benzoylamino-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester | 847699-97-2

• 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: benzoic acid 5-(4-benzoylamino-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester
• 英文别名: benzoic acid 5-(4-benzoylamino-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester
• CAS: 847699-97-2
• 化学式: C₄₅H₄₁N₃O₈
• 分子量: 751.836
• InChiKey: CIRPQVCHULFWDP-KQIHHXPCSA-N

物化性质

• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.34
• 重原子数：
  56.0
• 可旋转键数：
  13.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  127.21
• 氢给体数：
  1.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  benzoic acid 5-(4-benzoylamino-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester 在 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 39.0h， 以1460 g的产率得到N-苯甲酰基-5'-O-[二(4-甲氧基苯基)苯基甲基]-2'-脱氧-5-甲基胞苷
  参考文献：
  名称：

  Efficient Large-Scale Synthesis of 5′-O-Dimethoxytrityl-N⁴-Benzoyl-5-Methyl-2′-Deoxycytidine

  摘要：

  An efficient process to synthesize 5'-O-dimethoxytrityl-N-4-benzoyl-5-methyl-2'-deoxycylidine in high yield and quality is described. Final benzoylation was improved by developing a method to selectively hydrolyze benzoyl ester impurities. This inexpensive approach was scaled up to multi-kilogram quantities for routine use in oligonucleotide therapeutics.

  DOI：

  10.1080/15257770600726059
• 作为产物：
  描述：

  beta-胸苷 在 吡啶 、 三乙胺 、 1H-1,2,4-三唑 、 三氯氧磷 作用下， 以 DMF (N,N-dimethyl-formamide) 、 乙腈 为溶剂， 反应 22.0h， 生成 benzoic acid 5-(4-benzoylamino-5-methyl-2-oxo-2H-pyrimidin-1-yl)-2-[bis-(4-methoxy-phenyl)-phenyl-methoxymethyl]-tetrahydro-furan-3-yl ester
  参考文献：
  名称：

  Antisense modulation of profilin 1 expression

  摘要：

  提供了用于调节Profilin 1表达的反义物质、组合物和方法。这些组合物包括针对编码Profilin 1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Profilin 1表达以及治疗与Profilin 1表达相关疾病的方法。

  公开号：

  US20030232774A1

文献信息

• Antisense modulation of PTPN12 expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20030232434A1

  公开（公告）日：2003-12-18

  Antisense compounds, compositions and methods are provided for modulating the expression of PTPN12. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding PTPN12. Methods of using these compounds for modulation of PTPN12 expression and for treatment of diseases associated with expression of PTPN12 are provided.

  提供了用于调节PTPN12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PTPN12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PTPN12表达和治疗与PTPN12表达相关疾病的方法。
• Antisense modulation of transcription factor DP-1 expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20030225012A1

  公开（公告）日：2003-12-04

  Antisense compounds, compositions and methods are provided for modulating the expression of transcription factor Dp-1. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding transcription factor Dp-1. Methods of using these compounds for modulation of transcription factor Dp-1 expression and for treatment of diseases associated with expression of transcription factor Dp-1 are provided.

  提供了用于调节转录因子Dp-1表达的反义物化合物、组合物和方法。这些组合物包括针对编码转录因子Dp-1的核酸的反义物化合物，特别是反义寡核苷酸。提供了使用这些化合物调节转录因子Dp-1表达以及治疗与转录因子Dp-1表达相关的疾病的方法。
• Antisense modulation of DRAK1 expression
  申请人：Isis Pharmaceuticals Inc.

  公开号：US20030232773A1

  公开（公告）日：2003-12-18

  Antisense compounds, compositions and methods are provided for modulating the expression of DRAK1. The compositions comprise antisense compounds, particularly antisense oligonucleotides, targeted to nucleic acids encoding DRAK1. Methods of using these compounds for modulation of DRAK1 expression and for treatment of diseases associated with expression of DRAK1 are provided.

  提供了用于调节DRAK1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DRAK1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DRAK1表达和治疗与DRAK1表达相关疾病的方法。
• 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 fatty acid synthase expression
  申请人：——

  公开号：US20040077570A1

  公开（公告）日：2004-04-22

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

  提供了用于调节脂肪酸合成酶表达的反义物化合物、组合物和方法。这些组合物包括针对编码脂肪酸合成酶的核酸的反义物化合物，特别是反义寡核苷酸。提供了使用这些化合物调节脂肪酸合成酶表达以及治疗与脂肪酸合成酶表达相关疾病的方法。