4-[2-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxy-1-(2-nitrophenyl)propoxy]-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxybutanoic acid | 213541-74-3

分子结构分类

有机化合物 - 核苷、核苷酸和类似物 - 核糖核苷3'-磷酸盐

中文名称

——

中文别名

——

英文名称

4-[2-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxy-1-(2-nitrophenyl)propoxy]-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxybutanoic acid

英文别名

——

4-[2-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxy-1-(2-nitrophenyl)propoxy]-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxybutanoic acid化学式

CAS

213541-74-3

化学式

C₆₇H₁₁₈N₇O₅₃P₇

mdl

——

分子量

2086.51

InChiKey

CZPAROPORUZFAD-LMIPHZFPSA-N

BEILSTEIN

——

EINECS

——

计算性质

辛醇/水分配系数(LogP)：

-13.7
重原子数：

134
可旋转键数：

84
环数：

5.0
sp3杂化的碳原子比例：

0.78
拓扑面积：

835
氢给体数：

13
氢受体数：

53

反应信息

作为反应物：

描述：

4-[2-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxy-1-(2-nitrophenyl)propoxy]-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxybutanoic acid 在 shrimp alkaline phosphatase 、三羟甲基氨基甲烷盐酸盐、 magnesium chloride 作用下，以水为溶剂，反应 1.0h，生成

参考文献：

名称：

Multifunctional dinucleotide analogs for the generation of complex RNA conjugates

摘要：

Oligonucleotide conjugates are needed for in vitro selection schemes aiming at reactions between small, organic reactants. A general strategy is provided for the generation of the required RNA reactant conjugates based on multifunctional dinucleotide analogs. These modified dinucleotides allow for enzymatic ligation to native or enzymatically transcribed RNAs. They further contain a flexible polyethylene glycol spacer for correct spatial positioning and a photolabile cleavage site for selective release. The dinucleotides can be derivatized with the desired organic compounds by activated ester chemistry as was demonstrated by coupling to several nucleobases and nucleotides. (C) 2001 Elsevier Science Ltd. All rights reserved.

DOI：

10.1016/s0040-4020(00)01114-5
作为产物：

描述：

Diisopropyl-phosphoramidous acid 3-[bis-(4-methoxy-phenyl)-phenyl-methoxy]-1-(2-nitro-phenyl)-propyl ester 2-cyano-ethyl ester 、 alkaline earth salt of/the/ methylsulfuric acid 生成 4-[2-[2-[2-[2-[2-[2-[[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-2-[[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl]oxy-hydroxyphosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl]oxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxy-1-(2-nitrophenyl)propoxy]-hydroxy-oxidophosphaniumyl]oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy-hydroxy-oxidophosphaniumyl]oxybutanoic acid

参考文献：

名称：

A novel carboxy-functionalized photocleavable dinucleotide analog for the selection of RNA catalysts

摘要：

A new multifunctional dinucleotide analog is synthesized for the application in in vitro selection experiments with linker-coupled reactants. For this purpose it contains a 5'-pCC ligation site, three flexible hexaethylene glycol spacers, a photocleavable o-nitrobenzyl unit and a 3'-terminal carboxy-function which can be derivatized with potential reactants as demonstrated with three model compounds. (C) 1998 Elsevier Science Ltd. All rights reserved.

DOI：

10.1016/s0040-4039(98)01265-9

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腺苷-3’-磷酸胸苷酰-(3'-5')-胸苷氰基乙基磷酰三酯胸腺嘧啶脱氧核苷3-单磷酸铵盐水合物胞啶-3'-单磷酸二钠盐环(腺苷酰(3'-5')尿苷单磷酸酯) 尿苷酸尿苷溴乙酰甲醇5'-二磷酸酯尿苷氯乙酰甲醇5'-二磷酸酯丁二酸,甲基-,1-(苯基甲基)酯,(2R)-(9CI) [(2R,3S,4R,5R)-5-(6-氨基嘌呤-9-基)-4-羟基-2-(羟基甲基)四氢呋喃-3-基]苯基磷酸氢酯 [(2R,3S,4R,5R)-5-(2-氨基-6-氧代-3H-嘌呤-9-基)-2-[(2-甲酰基苯氧基)甲基]-4-羟基四氢呋喃-3-基]磷酸二氢酯 N-苯甲酰基-2'-脱氧-3'-胞苷酸2-氯苯基2-氰基乙基酯 8-[(E)-苄亚基氨基]-2'-脱氧腺苷3'-(磷酸二氢酯) 5-甲基-2'-脱氧胞苷-3'-磷酸 3'-(二氢磷酸)鸟嘌呤核苷 3'-(1-丁基磷酰)腺苷 2ˊ-脱氧胞苷-3ˊ-一磷酸 2-脱氧腺苷-3-单磷酸酯*铵 2'-脱氧鸟苷 3'-(磷酸二氢酯) 2'-脱氧腺苷酰-(3'-5')-2'-脱氧腺苷酰-(3'-5)-2'-脱氧腺苷 2'-脱氧-3'-胞苷酸二钠盐 2' -脱氧3' -磷酸游离酸 [3']thymidylic acid mono-[4-(2-iodo-acetylamino)-phenyl] ester 5-Fluor-1-β-D-arabinofuranosylcytosin-3'-phosphat [3']thymidylic acid mono-[4-(2-bromo-acetylamino)-phenyl] ester O^2'-Methylguanosin-3'-phosphorsaeure uridine-3'-(2-cyanoethyl)phosphate [3']thymidylic acid mono-[4-(2-chloro-acetylamino)-phenyl] ester (1R)-1-(6-amino-purin-9-yl)-O³-phosphono-1,5-anhydro-D-glucitol Thymidin-3'-(2,4-dinitrophenyl)phosphat N⁴-Dimethylamino-methylen-2',5'-bis-O-(1-ethoxy-ethyl)-cytidin-3'-phosphat (2R)-3-((hydroxy(((2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl)oxy)phosphoryl)oxy)propane-1,2-diyl dioleate 3-Methyl-uridin-3'-phosphat 2'-O-(tert-butyldimethylsilyl)inosine 3'-(allyl 2-cyanoethylphosphate) 2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-(2-chlorophenoxy)phosphoryl-2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-(2-chlorophenoxy)phosphoryl-2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-(2-chlorophenoxy)phosphoryl-2'-O-(2-tetrahydrofuranyl)-N4-(4-anisoyl)cytidine-3'-[O-(2-cyanoethyl)(2-chlorophenyl)phosphate] Phosphoric acid mono-[(2S,5R)-5-(2,4-diamino-pyrrolo[2,3-d]pyrimidin-7-yl)-2,5-dihydro-furan-2-ylmethyl] ester; compound with triethyl-amine 9-β.D-Glucopyranosyl-adenin-4'-phosphat 4-Oxo-pentanoic acid (2R,3S,5R)-3-[(2-chloro-phenoxy)-hydroxy-phosphoryloxy]-5-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-tetrahydro-furan-2-ylmethyl ester N(4),O(2')-Dibenzoyl-cytidin-3'-phosphat cis-((5-((4-amino-2-oxopyrimidin-1(2H)-yl)methyl)-1,3-oxathiolan-2-yl)methyl) (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl hydrogen phosphate 1,20-(icosanedioxy)bis-(3'-phosphatidyl-2'-deoxythymidine) 4-N-benzoyl-5'-O-[di(2-cyanoethyloxy)phosphoryl]-2'-deoxycytidylyl-{3'-O^P-(2-cyanoethyl)->5'}-6-N-benzoyl-2',3'-di-O-(tert-butyldimethylsilyl)adenosine [3']uridylic acid mono-[1-(5,6-bis-ethoxycarbonylamino-pyrimidin-4-ylamino)-β-D-1-deoxy-ribofuranos-5-yl] ester 1-β-D-Arabinofuranosylcytidin-3'-phosphat OH[AA]AZMB

分子结构分类

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