您当前所在的位置:首页 > 产品中心 > 产品详细信息
2646-71-1(anhydrous) 分子结构
点击图片或这里关闭

tetrasodium [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonatooxy)oxolan-2-yl]methyl ({[(2S,3R,4S,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate

ChemBase编号:153692
分子式:C21H26N7Na4O17P3
平均质量:833.348203
单一同位素质量:833.01887942
SMILES和InChIs

SMILES:
c1nc(c2c(n1)n(cn2)[C@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)([O-])OP(=O)([O-])OC[C@H]1[C@@H]([C@@H]([C@H](O1)N1C=CCC(=C1)C(=O)N)O)O)O)OP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+]
Canonical SMILES:
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1N1C=CCC(=C1)C(=O)N)COP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(=O)([O-])[O-])n1cnc2c1ncnc2N)[O-])[O-].[Na+].[Na+].[Na+].[Na+]
InChI:
InChI=1S/C21H30N7O17P3.4Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4/t10-,11+,13-,14+,15-,16+,20-,21+;;;;/m0..../s1
InChIKey:
WYWWVJHQDVCHKF-MPUNMZHWSA-J

引用这个纪录

CBID:153692 http://www.chembase.cn/molecule-153692.html

Collapse All Expand All

名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
tetrasodium [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonatooxy)oxolan-2-yl]methyl ({[(2S,3R,4S,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
IUPAC传统名
tetrasodium [(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-(phosphonatooxy)oxolan-2-yl]methyl {[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphonato}oxyphosphonate
别名
2′-NADPH 水合物
二氢烟酰胺腺嘌呤二核苷酸磷酸 四钠盐
还原型三磷酸吡啶核苷酸 四钠盐
还原型辅酶 II 四钠盐
还原型 β-烟酰胺腺嘌呤二核苷酸 2′-磷酸 四钠盐 水合物
Coenzyme II reduced 四钠盐
Dihydronicotinamide adenine dinucleotide phosphate 四钠盐
Triphosphopyridine nucleotide reduced 四钠盐
2′-NADPH hydrate
β-Nicotinamide adenine dinucleotide 2′-phosphate reduced tetrasodium salt hydrate
β-NADPH
2′-NADPH
NADPH Na4
TPNH2 Na4
Coenzyme II reduced tetrasodium salt
Dihydronicotinamide adenine dinucleotide phosphate tetrasodium salt
Triphosphopyridine nucleotide reduced tetrasodium salt
β-Nicotinamide adenine dinucleotide 2′-phosphate reduced tetrasodium salt

理论计算性质

理论计算性质

JChem
Acid pKa 0.65526855  质子受体 18 
质子供体 LogD (pH = 5.5) -10.989814 
LogD (pH = 7.4) -12.689332  Log P -6.418074 
摩尔折射率 149.3858 cm3 极化性 60.81711 Å3
极化表面积 375.47 Å2 可自由旋转的化学键 13 
里宾斯基五规则 false 

分子性质

分子性质

安全信息 产品相关信息 生物活性(PubChem)
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
1 expand 查看数据来源
3 expand 查看数据来源
个人保护装置
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand 查看数据来源
保存温度
-20°C expand 查看数据来源
纯度
~95% expand 查看数据来源
≥90.0% (HPLC) expand 查看数据来源
≥95% (HPLC) expand 查看数据来源
≥95% (spectrophotometric assay) expand 查看数据来源
≥97% (HPLC) expand 查看数据来源
≥97% (spectrophotometric assay) expand 查看数据来源
93-100% (HPLC) expand 查看数据来源
93-100% (spectrophotometric assay) expand 查看数据来源
包装
preweighed vial of 1 mg expand 查看数据来源
vial of 0.30-0.36 mg expand 查看数据来源
vial of 1 mg expand 查看数据来源
vial of 10 mg expand 查看数据来源
vial of 5 mg expand 查看数据来源
杂质
≤12% water expand 查看数据来源
临床用途
for in vitro diagnostic use expand 查看数据来源
产品质量级别
PREMIUM expand 查看数据来源
Absorbance ratio
A260/340 nm ≤2.45 expand 查看数据来源
Empirical Formula (Hill Notation)
C21H26N7Na4O17P3 expand 查看数据来源
C21H26N7Na4O17P3 · xH2O expand 查看数据来源

详细说明

详细说明

Sigma Aldrich Sigma Aldrich
Sigma Aldrich -  N9910 external link
Other Notes
Packaged based on NADPH content as determined by UV-Vis.
Preparation Note
Chemically reduced
Application
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+ and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivo by the pentose phosphate pathway (PPP).
Biochem/physiol Actions
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivo by the pentose phosphate pathway (PPP).
Sigma Aldrich -  N9660 external link
Other Notes
Packaged based on NADPH content as determined by UV-Vis.
Preparation Note
Chemically reduced
Application
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivio by the pentose phosphate pathway (PPP).
Biochem/physiol Actions
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivo by the pentose phosphate pathway (PPP).
Sigma Aldrich -  201201 external link
Biochem/physiol Actions
电子供体;很多氧化还原酶(包括一氧化氮合成酶)的辅因子
Other Notes
根据固体质量包装。
Preparation Note
化学还原
Sigma Aldrich -  N6505 external link
Biochem/physiol Actions
电子供体;很多氧化还原酶(包括一氧化氮合成酶)的辅因子
Other Notes
根据固体质量包装。
Preparation Note
Enzymatically reduced.
Application
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivio by the pentose phosphate pathway (PPP).
Sigma Aldrich -  N7505 external link
Biochem/physiol Actions
电子供体;很多氧化还原酶(包括一氧化氮合成酶)的辅因子
Other Notes
根据固体质量包装。
Preparation Note
Chemically reduced
Application
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivio by the pentose phosphate pathway (PPP).
Sigma Aldrich -  N1630 external link
Biochem/physiol Actions
电子供体;很多氧化还原酶(包括一氧化氮合成酶)的辅因子
Other Notes
根据固体质量包装。
Preparation Note
化学还原。
Sigma Aldrich -  N7785 external link
Other Notes
Packaged based on NADPH content as determined by UV-Vis.
Preparation Note
Chemically reduced
Application
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivio by the pentose phosphate pathway (PPP).
Biochem/physiol Actions
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivo by the pentose phosphate pathway (PPP).
Sigma Aldrich -  N0411 external link
Other Notes
Packaged based on NADPH content as determined by UV-Vis.
Preparation Note
Chemically reduced
Biochem/physiol Actions
β-Nicotinamide adenine dinucleotide 2′-phosphate (NADP+) and β-Nicotinamide adenine dinucleotide 2′-phosphate, reduced (NADPH) comprise a coenzyme redox pair (NADP+:NADPH) involved in a wide range of enzyme catalyzed oxidation reduction reactions. The NADP+/NADPH redox pair facilitates electron transfer in anabolic reactions such as lipid and cholesterol biosynthesis and fatty acyl chain elongation. The NADP+/NADPH redox pair is used in a variety of antioxidation mechanism where it protects agains reactive oxidation species accumulation. NADPH is generated in vivo by the pentose phosphate pathway (PPP).
Sigma Aldrich -  93220 external link
Biochem/physiol Actions
电子供体;很多氧化还原酶(包括一氧化氮合成酶)的辅因子
Other Notes
Coenzymes and Cofactors, vol. 2: Pyridine Nucleotide Coenzymes1,2; Studies on steroid 5α-reductase3
根据固体质量包装。

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    暂无数据
正在搜索,请耐心等待...(如果遇到网页错误或者长时间没有结果,请刷新页面[F5])

专利

专利

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

互联网资源

互联网资源

百度图标百度 google iconGoogle