Acetic acid (2R,3R,4R,5R)-4-acetoxy-2-[2-(4-tert-butyl-benzoylamino)-6-oxo-1,6-dihydro-purin-9-yl]-5-(diisopropylamino-methoxy-phosphanyloxymethyl)-tetrahydro-furan-3-yl ester | 120367-64-8

• 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: Acetic acid (2R,3R,4R,5R)-4-acetoxy-2-[2-(4-tert-butyl-benzoylamino)-6-oxo-1,6-dihydro-purin-9-yl]-5-(diisopropylamino-methoxy-phosphanyloxymethyl)-tetrahydro-furan-3-yl ester
• 英文别名: [(2R,3R,4R,5R)-4-acetyloxy-5-[2-[(4-tert-butylbenzoyl)amino]-6-oxo-3H-purin-9-yl]-2-[[[di(propan-2-yl)amino]-methoxyphosphanyl]oxymethyl]oxolan-3-yl] acetate
• CAS: 120367-64-8
• 化学式: C₃₂H₄₅N₆O₉P
• 分子量: 688.718
• InChiKey: AGNILCMPBGTEEB-GOONIISMSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  48
• 可旋转键数：
  15
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  172
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  [(2R,3S,4R,5R)-5-(6-benzamidopurin-9-yl)-3-[[(2R,3R,4R,5R)-3,4-diacetyloxy-5-[4-(2-nitrophenoxy)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxyoxolan-2-yl]methyl 4-methylbenzoate 、 Acetic acid (2R,3R,4R,5R)-4-acetoxy-2-[2-(4-tert-butyl-benzoylamino)-6-oxo-1,6-dihydro-purin-9-yl]-5-(diisopropylamino-methoxy-phosphanyloxymethyl)-tetrahydro-furan-3-yl ester 生成
  参考文献：
  名称：

  VIAL, J. -M.;REMAUD, G.;BALGOBIN, N.;CHATTOPADHYAYA, J., 7TH SYMP. CHEM. NUCL. ACID COMPON., BECHYNE CASTLE, AUG. 30TH - SEPT. 5TH+

  摘要：

  DOI：

文献信息

• A new regiospecific synthesis of “Branched” tetraribonucleotide and its three analogues to delineate the chemospecific role of the “Branch-point” adenine nucleotide in splicing
  作者：N. Balgobin、A. Földesi、G. Remand、J. Chattopadhyaya

  DOI：10.1016/s0040-4020(01)86223-2

  日期：1988.1

  2'-OH protecting groups (9-phenylxanthen-9-yl-), by a mild acid treatment, at the branch-accepting sugar moiety to give the intermediates 23–26 in high yields. These intermediates 23–26 have been subsequently converted to the “branched” tetraribonucleotides 28–31 by reactions with appropriately protected 5'-phosphiteamidite block 27 in the usual manner. The deprotectected “branched” tetraribonucleotides

  使用关键的三聚体结构单元19-22报告了四个“支链”四核糖核苷酸32-35的合成，这些结构单元是通过H-膦酸酯化学方法开发的，通过18与14-17的反应方便地制备的。互补的适当选择2'-OH保护基团的中间体19-22已经允许一个区域选择性除去一个2'-OH保护基团（9- phenylxanthen -9-基 - ），通过温和的酸处理，在分支接受糖部分以高收率得到中间体23–26。这些中间体23-26随后通过与受适当保护的5'-亚磷酰胺嵌段27的反应以常规方式转化为“支链”四核糖核苷酸28-31。1 H-和31 p-NMR光谱。这些分支的四核糖核苷酸的二维1 H / 31 P相关光谱法已明确地确定了3'→5'和2'→5'磷酸二酯键的区域特异性位点。
• BALGOBIN, N.;FOLDESI, A.;REMAUD, G.;CHATTOPADHYAYA, J., TETRAHEDRON, 44,(1988) N 22, C. 6929-6939
  作者：BALGOBIN, N.、FOLDESI, A.、REMAUD, G.、CHATTOPADHYAYA, J.

  DOI：——

  日期：——