53-57-6 (NADPH,NADPH)

NADPH(53-57-6)名称与标识符

名称

中文别名:
还原型辅酶II(NADPH)四钠盐;
英文别名:
[[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-te trahydrofuran-2-yl]methoxy-hydroxy-phosphoryl] [(2S,3R,4S,5S)-5-( 3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]m et;Adenosine5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'®β-NADPH-d4;5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyri;5'-ester with 1,4-dihydro-1-b-D-ribofuranosyl-3-pyridinecarboxamide;Di-(tert-butyl) imidodicarbonate;Di-t-butyl iminodicarboxylate;di-tert-butyl imidodicarbonate;di-tert-butyl iminodicarbonate;Di-tert-butyl Iminodicarboxylate;Di-tert-butyl-iminodicarboxylate;Iminodicarboxylic Acid Di-tert-butyl Ester;N-Boc-tert-butylcarbamate;tert-Butyl iminodicarboxylate; β-TPNH; β-Nicotinamide-adenine-dinucleotide-phosphoric acid; β-NADPH; Triphosphopyridine nucleotide, reduced; TPNH; Reduced triphosphopyridine nucleotide; Reduced nicotinamide adenine dinucleotide phosphate; Reduced 2 codehydrogenase II; Nicotinamide-adenine dinucleotide phosphate, reduced; NADPH ; Dihydrocodehydrogenase II; Cozymase II, reduced; Coenzyme II, reduced; Codehydrogenase II, reduced; Codehydrase II, reduced; 51: PN: WO2004076659 FIGURE: 7 claimed sequence;Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'→5'-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide (8CI);Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'→5'-ester with 1,4-dihydro-1-β-D-ribofuranosyl-3-pyridinecarboxamide;53-57-6;b-Nicotinamide-adenine-dinucleotide-phosphorate;Dihydrocodehydrogenase II;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide;C21-H30-N7-O17-P3.4Na;NADP REDUCED FORM [MI];ACFIXJIJDZMPPO-NNYOXOHSSA-N;DTXSID001018921;beta-Nicotinamide-adenine-dinucleotide-phosphoric acid;C00005;C21H30N7O17P3;DB02338;Nicotinamide-adenine-dinucleotide-phosphorate;CHEBI:16474;EINECS 200-177-6;ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE), 2'-(DIHYDROGEN PHOSPHATE), P'->5'-ESTER WITH 1,4-DIHYDRO-1-.BETA.-D-RIBOFURANOSYL-3-PYRIDINECARBOXAMIDE;beta-Nicotinamide-adenine-dinucleotide-phosphorate;NADP REDUCED FOM;C21-H30-N7-O17-P3;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide;reduced Cozymase II;beta-NADPH Tetrasodium;CHEMBL407009;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'.fwdarw.5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide;Reduced Nicotinamide Adenine Dinucleotide Phosphate;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'?5'-ester with 1,4-dihydro-1-.beta.-D-ribofuranosyl-3-pyridinecarboxamide;reduced nicotinamide-adenine dinucleotide phosphate;REDUCED CODEHYDROGENASE II;COENZYME II, REDUCED;dihydrotriphosphopyridine nucleotide reduced;NADPH;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogenphosphate), P'-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide;Reduced triphosphopyridine nucleotide;reducednicotinamide-adenine dinucleotide phosphate;NADPH2;reduced Coenzyme II;.BETA.-NADPH;2646-71-1;Nicotinamide-adenine-dinucleotide-phosphoric acid;2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) Adenosine 5'-ester with 1,4-dihydro-1-b-D-ribofuranosylnicotinamide;dihydronicotinamide adenine dinucleotide-P;Adenosine 5'-(trihydrogen diphosphate) 2'-(dihydrogen phosphate) P'-5'-ester with 1,4-dihydro-1-beta-delta-ribofuranosyl-3-pyridinecarboxamide;TPNH;Nicotinamide-adenine dinucleotide phosphate, reduced;NADP-reduced;b-NADPH;Triphosphopyridine nucleotide reduced;.BETA.-NICOTINAMIDE-ADENINE-DINUCLEOTIDE-PHOSPHORIC ACID;Adenosine 5'-(trihydrogen diphosphate) 2'-(dihydrogen phosphate) P'-5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate;2'-O-phosphonoadenosine 5'-{3-[1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate};beta-NADPH;dihydronicotinamide adenine dinucleotide phosphate;bmse000055;nadph hydride;b-Nicotinamide-adenine-dinucleotide-phosphoric acid;2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate) Adenosine 5'-ester with 1,4-dihydro-1-beta-delta-ribofuranosylnicotinamide;381Q4X082D;Nicotinamide adenine dinucleotide phosphate - reduced;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'->5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide;reduced Codehydrase II;UNII-381Q4X082D;Q26841327;[(2R,3R,4R,5R)-2-(6-Aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxymethyl]-4-hydroxy-oxolan-3-yl]oxyphosphonic acid;SCHEMBL2041;C21H30N7O17P3.4Na;Dihydronicotinamide-adenine dinucleotide phosphate;Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), P'.fwdarw.5'-ester with 1,4-dihydro-1-beta-D-ribofuranosyl-3-pyridinecarboxamide;Adenosine, 2'-(dihydrogen phosphate) 5'-(trihydrogen pyrophosphate), 5'→5'-ester with 1,4-dihydro-1-β-D-ribofuranosylnicotinamide (8CI);51: PN: WO2004076659 FIGURE: 7 claimed sequence;Codehydrase II, reduced;Codehydrogenase II, reduced;Cozymase II, reduced;Triphosphopyridine nucleotide, reduced;β-NADPH;β-Nicotinamide-adenine-dinucleotide-phosphoric acid;β-TPNH;NS00015230;NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;NADPH tetraanion;Dihydronicotinamide-adenine dinucleotide phosphoric acid;(((2S,3S,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((((((((2S,3R,4S,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy)(hydroxy)phosphoryl)oxy)(hydroxy)phosphoryl)oxy)methyl)-4-hydroxyoxolan-3-yl)oxy)phosphonic acid;NADPH dihydro-nicotinamide-adenine-dinucleotide phosphoric acid;HY-113324;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate;DA-55982;NADP-red;[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methyl [[(2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] hydrogen phosphate;Nucleotide, Triphosphopyridine;25 MG -NICOTINAMIDE ADENINE DINUCLEOTIDEPHOSPHATE REDUCED.NA4-SALT AN.GR.;Reduced nicotinamide adenine dinucleotide phosphoric acid;Adenosine 5'(trihydrogen diphosphate), 2'(dihydrogen phosphate), P'.fwdarw.5'ester with 1,4dihydro1betaDribofuranosyl3pyridinecarboxamide;(((2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoyl-1,4-dihydropyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl phosphate;beta-TPNH;Reduced nicotinamide-adenine dinucleotide phosphoric acid;reduced NADP;Dihydronicotinamideadenine dinucleotide phosphate;{[(2S,3S,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-[({[({[(2S,3R,4S,5S)-5-(3-carbamoyl-1,4-dihydropyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid;(((2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl)methoxy-hydroxyphosphoryl) ((2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methyl hydrogen phosphate;DTXCID201476935;dihydronicotinamide adenine dinucleotide phosphate reduced;Adenosine 5'(trihydrogen diphosphate), 2'(dihydrogen phosphate), P'>5'ester with 1,4dihydro1betaDribofuranosyl3pyridinecarboxamide;dihydrotriphosphopyridine nucleotide;NADP REDUCED FORM;2'-O-phosphonoadenosine 5'-(3-(1-(3-carbamoyl-1,4-dihydropyridin-1-yl)-1,4-anhydro-D-ribitol-5-yl) dihydrogen diphosphate);Phosphate, Nicotinamide-Adenine Dinucleotide;((2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl)methyl (((2S,3R,4S,5S)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl)methoxy-hydroxyphosphoryl) hydrogen phosphate;CS-0059609;Dinucleotide Phosphate, Nicotinamide-Adenine;Nadph dihydro-nicotinamide-adenine-dinucleotidephosphoric acid;reduced dihydrotriphosphopyridine nucleotide;

标识符

InChIKey:
ACFIXJIJDZMPPO-NNYOXOHSSA-N
Inchi:
1S/C21H30N7O17P3/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)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
SMILES:
P(=O)(O)(O)O[C@H]1[C@H](N2C=NC3C(N)=NC=NC2=3)O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@H](N3C=CCC(C(N)=O)=C3)O2)O)O)[C@H]1O

NADPH(53-57-6)物化性质

实验特性

  • LogP : -0.90060
  • PSA : 394.57000
  • 折射率 : 1.849
  • 沸点 : 1175.1°Cat760mmHg
  • 闪点 : 664.5°C
  • 密度 : 2.28

计算特性

  • 精确分子量 : 745.091102
  • 氢键供体数量 : 9
  • 氢键受体数量 : 18
  • 可旋转化学键数量 : 13
  • 同位素质量 : 745.091102
  • 重原子数量 : 48
  • 复杂度 : 1410
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 8
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : _6.8
  • 拓扑分子极性表面积 : 364

NADPH(53-57-6)合成路线

合成路线:1 步
反应条件:
参考文献:
Transforming inert cycloalkanes into α,ω-diamines by designed enzymic cascade catalysis
By Zhang, Zhongwei et al, Angewandte Chemie, 2023, 62(16), e202215935
合成路线:1 步
反应条件:
参考文献:
Polystyrene-based eosin-Y as a photocatalyst for solar light-mediated NADH/NADPH regeneration and organic transformations
By Singh, Pooja et al, Reaction Chemistry & Engineering, 2023, 8(5), 1072-1082
合成路线:1 步
反应条件:
参考文献:
Protein-Mediated Biosynthesis of Semiconductor Nanocrystals for Photocatalytic NAD(P)H Regeneration and Chiral Amine Production
By Bachar, Oren et al, Angewandte Chemie, 2022, 61(23), e202202457
合成路线:1 步
反应条件:
参考文献:
An Implantable Ionic Wireless Power Transfer System Facilitating Electrosynthesis
By Kim, Chong-Chan et al, ACS Nano, 2020, 14(9), 11743-11752
合成路线:1 步
反应条件:
参考文献:
The visible-light-driven transfer hydrogenation of nicotinamide cofactors with a robust ruthenium complex photocatalyst
By Dong, Wenjin et al, Green Chemistry, 2020, 22(7), 2279-2287
合成路线:1 步
反应条件:
参考文献:
Development of an enzymatic process for the synthesis of (S)-2-chloro-1-(2,4-dichlorophenyl) ethanol
By Wei, Teng-Yun et al, Organic Process Research & Development, 2019, 23(9), 1822-1828
合成路线:1 步
反应条件:
参考文献:
Co-production of hydrogen and ethanol by pfkA-deficient Escherichia coli with activated pentose-phosphate pathway: reduction of pyruvate accumulation
By Sekar, Balaji Sundara et al, Biotechnology for Biofuels, 2016, 9, 95/1-95/11
合成路线:1 步
反应条件:
参考文献:
Contribution to catalysis of ornithine binding residues in ornithine N5-monooxygenase
By Robinson, Reeder et al, Archives of Biochemistry and Biophysics, 2015, 585, 25-31
合成路线:1 步
反应条件:
参考文献:
Structural backgrounds for the formation of a catalytically competent complex with NADP(H) during hydride transfer in ferredoxin-NADP+ reductases
By Sanchez-Azqueta, Ana et al, Biochimica et Biophysica Acta, 2012, 1817(7), 1063-1071
合成路线:1 步
反应条件:
参考文献:
A Photocatalyst/Enzyme Couple That Uses Solar Energy in the Asymmetric Reduction of Acetophenones
By Choudhury, Sumit et al, Angewandte Chemie, 2012, 51(46), 11624-11628
合成路线:1 步
反应条件:
参考文献:
Application of biocatalysis towards asymmetric reduction and hydrolytic desymmetrisation in the synthesis of a β-3 receptor agonist
By Badland, Matthew et al, Green Chemistry, 2011, 13(10), 2888-2894
合成路线:1 步
反应条件:
参考文献:
Cofactor mobility determines reaction outcome in the IMPDH and GMPR (β-α)8 barrel enzymes
By Patton, Gregory C. et al, Nature Chemical Biology, 2011, 7(12), 950-958
合成路线:1 步
反应条件:
参考文献:
Enzymatic De Novo Pyrimidine Nucleotide Synthesis
By Schultheisz, Heather L. et al, Journal of the American Chemical Society, 2011, 133(2), 297-304
合成路线:1 步
反应条件:
参考文献:
Ionic Liquids as Performance Additives for Electroenzymatic Syntheses
By Kohlmann, Christina et al, Chemistry - A European Journal, 2009, 11692-11700, S11692/1-S11692/11
合成路线:1 步
反应条件:
参考文献:
Synthesis, characterization and application of new rhodium complexes for indirect electrochemical cofactor regeneration
By Hildebrand, Falk et al, Advanced Synthesis & Catalysis, 2008, 350(6), 909-918
合成路线:1 步
反应条件:
参考文献:
α-Secondary Isotope Effects as Probes of "Tunneling-Ready" Configurations in Enzymatic H-Tunneling: Insight from Environmentally Coupled Tunneling Models
By Pudney, Christopher R. et al, Journal of the American Chemical Society, 2006, 128(43), 14053-14058
合成路线:1 步
反应条件:
参考文献:
Phototriggered chemical reduction of NADP+ by Zn-reconstituted myoglobin and triethanolamine as a sacrifical donor
By Nishiyama, Katsuhiko et al, Chemistry Letters, 2005, 34(7), 1032-1033
合成路线:1 步
反应条件:
参考文献:
Reaction engineering aspects of enzymic manufacture of NADPH in an enzyme membrane reactor
By Mertens, Rita et al, Chemie Ingenieur Technik, 2005, 77(5), 609-616
合成路线:1 步
反应条件:
参考文献:
Indirect electrochemical reduction of nicotinamide coenzymes
By Vuorilehto, K. et al, Bioelectrochemistry, 2004, 65(1), 1-7
合成路线:1 步
反应条件:
参考文献:
Membrane aerated hydrogenation: Enzymatic and chemical homogeneous catalysis
By Greiner, Lasse et al, Advanced Synthesis & Catalysis, 2003, 345(6+7), 679-683
合成路线:1 步
反应条件:
参考文献:
Utilization of adsorption effects for the continuous reduction of NADP+ with molecular hydrogen by Pyrococcus furiosus hydrogenase
By Greiner, L. et al, Green Chemistry, 2003, 5(6), 697-700
合成路线:1 步
反应条件:
参考文献:
Transition-Metal-Catalyzed Regeneration of Nicotinamide Coenzymes with Hydrogen
By Wagenknecht, Paul S. et al, Organometallics, 2003, 22(6), 1180-1182
合成路线:1 步
反应条件:
参考文献:
NADPH manufacture using permeabilized microorganisms
By Silhankova, Ludmila and Hajek, Petr, Czech., From Czech., 266763, 12 Jan 1990, 266763, 12 Jan 1990

NADPH(53-57-6)相关文献