2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one

• 分子结构分类: 有机化合物 - 核苷、核苷酸和类似物 - 嘌呤核苷
• 英文名称: 2-amino-9-[(2R,4R,5R)-5-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-2-[[[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-3-yl]oxy-sulfanylphosphoryl]oxymethyl]-5-(4-amino-2-oxo-1,3,5-triazin-1-yl)oxolan-3-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-4-hydroxyoxolan-2-yl]-1H-purin-6-one
• 化学式: C₃₆H₄₇N₁₈O₁₉P₃S₃
• 分子量: 1225.0
• InChiKey: NRZMXTBCNOWXAE-LGSYLZCSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -4.8
• 重原子数：
  79
• 可旋转键数：
  20
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  568
• 氢给体数：
  11
• 氢受体数：
  24

文献信息

• Oligonucleotide Analogues Incorporating 5-Aza-Cytosine Therein
  申请人：ASTEX PHARMACEUTICALS, INC.

  公开号：US20130236536A1

  公开（公告）日：2013-09-12

  Oligonucleotide analogues are provided that incorporate 5-aza-cytosine in the oligonucleotide sequence, e.g., in the form of 5-aza-2′-deoxycytidine (decitabine) or 5-aza-cytidine. In particular, oligonucleotide analogues rich in decitabine-deoxyguanosine islets (DpG and GpD) are provided to target the CpG islets in the human genome, especially in the promoter regions of genes susceptible to aberrant hypermethylation. Such analogues can be used for modulation of DNA methylation, such as effective inhibition of methylation of cytosine at the C-5 position. Methods for synthesizing these oligonucleotide analogues and for modulating nucleic acid methylation are provided. Also provided are phosphoramidite building blocks for synthesizing the oligonucleotide analogues, methods for synthesizing, formulating and administering these compounds or compositions to treat conditions, such as cancer and hematological disorders.
• US9358248B2
  申请人：——

  公开号：US9358248B2

  公开（公告）日：2016-06-07
• US9480698B2
  申请人：——

  公开号：US9480698B2

  公开（公告）日：2016-11-01