deamido-NAD zwitterion

Base Information

• Chemical Name: deamido-NAD zwitterion
• CAS No.: 6450-77-7
• Molecular Formula: C₂₁H₂₆N₆O₁₅P₂
• Molecular Weight: 664.416
• Mol file: 6450-77-7.mol

Synonyms:deamido-NAD zwitterion;CHEBI:14105;adenosine 5'-{3-[1-(3-carboxypyridinio)-1,4-anhydro-D-ribitol-5-yl] hydrogen diphosphate}

Chemical Property of deamido-NAD zwitterion

Chemical Property:

• PSA: 340.58000
• LogP: -2.29370
• XLogP3: -5.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 11
• Exact Mass: 664.09313814
• Heavy Atom Count: 44
• Complexity: 1120

Purity/Quality:

97% ^*data from raw suppliers

NicotinicAcidAdenineDinucleotide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O
• Isomeric SMILES: C1=CC(=C[N+](=C1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)N4C=NC5=C(N=CN=C54)N)O)O)O)O)C(=O)O
• Uses: Nicotinic Acid Adenine Dinucleotide is an analog of β-Nicotinamide Adenine Dinucleotide (N407775, Hydrate); a coenzyme consisting of an adenine base and a nicotinamide base connected by a pair of bridging phosphate groups. β-Nicotinamide Adenine Dinucleotide acts as a coenzyme in redox reactions, as a donor of ADP-ribose moieties in ADP-ribosylation reactions and also as a precursor of the second messenger molecule cyclic ADP-ribose. β-Nicotinamide Adenine Dinucleotide also acts as a substrate for bacterial DNA ligases and a group of enzymes called sirtuins that use NAD+ to remove acetyl groups from proteins.

Technology Process of deamido-NAD zwitterion

There total 3 articles about deamido-NAD zwitterion 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:

nicotinic acid riboside mononucleotide (321-02-8) + ATP (56-65-5,896506-78-8) → Nicotinsaeure-adenin-dinucleotid (6450-77-7,897946-91-7,1183-79-5,1476-40-0,161395-10-4,63293-04-9,81932-62-9,115962-96-4)

Guidance literature:

With nicotinate mononucleotide adenyltransferase; magnesium chloride; for 0.241667h;

DOI:10.2174/138620710790218203

Reference yield:

→ nicotinic acid adenine dinucleotide (6450-77-7,897946-91-7)

Guidance literature:

With alkali; Hydrolysis_.Hydrolyse an einem Ionenaustauscher;

Reference yield:

nicotinic acid (59-67-6) + nicotinamide adenine dinucleotide (865-05-4) → nicotinic acid adenine dinucleotide (6450-77-7,897946-91-7)

Guidance literature:

With NAD⁺-nucleosidase;

upstream raw materials:

nicotinic acid

nicotinamide adenine dinucleotide

nicotinic acid riboside mononucleotide

ATP

Downstream raw materials:

NAD