3'-Deoxynicotinamide adenine dinucleotide

Base Information

Chemical Name:3'-Deoxynicotinamide adenine dinucleotide
CAS No.:60902-13-8
Molecular Formula:C₂₁H₂₇N₇O₁₃P₂
Molecular Weight:647.432
Hs Code.:
DSSTox Substance ID:DTXSID30209741
Wikidata:Q83084152
Mol file:60902-13-8.mol

Synonyms:3'-deoxy NAD;3'-deoxynicotinamide adenine dinucleotide

Suppliers and Price of 3'-Deoxynicotinamide adenine dinucleotide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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Total 0 raw suppliers

Chemical Property of 3'-Deoxynicotinamide adenine dinucleotide

Chemical Property:

PSA：321.47000
LogP:-0.08310
XLogP3:-3.8
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:11
Exact Mass:647.11420794
Heavy Atom Count:43
Complexity:1100

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(OC(C1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)[N+]5=CC=CC(=C5)C(=O)N)[O-])O
Isomeric SMILES:C1[C@H](O[C@H]([C@@H]1O)N2C=NC3=C(N=CN=C32)N)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)[N+]5=CC=CC(=C5)C(=O)N)[O-])O

Technology Process of 3'-Deoxynicotinamide adenine dinucleotide

There total 9 articles about 3'-Deoxynicotinamide adenine dinucleotide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: C₁₅H₂₂N₅O₇P

: 1094-61-7
nicotinamide mononucleotide

: 60902-13-8
3'dNAD+

Guidance literature:: With magnesium sulfate; manganese(ll) chloride; In formamide; at 20 ℃; for 16h;
DOI:10.1021/jm401497a

Reference yield:

: 62805-48-5
9-(2,5-di-O-acetyl-3-bromo-3-deoxy-β-D-xylofuranosyl)-1,9-dihydro-6H-purine-6-one

: 60902-13-8
3'dNAD+

Guidance literature:: Multi-step reaction with 8 steps

1.1: tri-n-butyl-tin hydride; 2,2'-azobis(isobutyronitrile) / toluene / 2 h / Reflux

2.1: methanol; ammonia / 16 h / 0 - 60 °C

3.1: 1H-imidazole; dmap / N,N-dimethyl-formamide / 0.5 h

4.1: trifluoroacetic acid / water; tetrahydrofuran / 0 °C

5.1: 5-Phenyl-1H-tetrazole / dichloromethane / 1 h

5.2: 0.5 h / 0 °C

6.1: trifluoroacetic acid / water / 20 h / 0 °C

7.1: triphenylphosphine; 2,2'-dipyridyldisulphide / dimethyl sulfoxide / 1 h / 20 °C

8.1: manganese(ll) chloride; magnesium sulfate / formamide / 16 h / 20 °C

With 1H-imidazole; methanol; dmap; 5-Phenyl-1H-tetrazole; 2,2'-dipyridyldisulphide; 2,2'-azobis(isobutyronitrile); ammonia; tri-n-butyl-tin hydride; magnesium sulfate; triphenylphosphine; trifluoroacetic acid; manganese(ll) chloride; In tetrahydrofuran; dichloromethane; water; formamide; dimethyl sulfoxide; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm401497a

Reference yield:

: 71196-28-6
((2S,4R,5R)-4-acetoxy-5-(6-amino-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl acetate

: 60902-13-8
3'dNAD+

Guidance literature:: Multi-step reaction with 7 steps

1.1: methanol; ammonia / 16 h / 0 - 60 °C

2.1: 1H-imidazole; dmap / N,N-dimethyl-formamide / 0.5 h

3.1: trifluoroacetic acid / water; tetrahydrofuran / 0 °C

4.1: 5-Phenyl-1H-tetrazole / dichloromethane / 1 h

4.2: 0.5 h / 0 °C

5.1: trifluoroacetic acid / water / 20 h / 0 °C

6.1: triphenylphosphine; 2,2'-dipyridyldisulphide / dimethyl sulfoxide / 1 h / 20 °C

7.1: manganese(ll) chloride; magnesium sulfate / formamide / 16 h / 20 °C

With 1H-imidazole; methanol; dmap; 5-Phenyl-1H-tetrazole; 2,2'-dipyridyldisulphide; ammonia; magnesium sulfate; triphenylphosphine; trifluoroacetic acid; manganese(ll) chloride; In tetrahydrofuran; dichloromethane; water; formamide; dimethyl sulfoxide; N,N-dimethyl-formamide;
DOI:10.1021/jm401497a