Thionicotinamide-adenine-dinucleotide

Base Information

• Chemical Name: Thionicotinamide-adenine-dinucleotide
• CAS No.: 4090-29-3
• Molecular Formula: C21H27 N7 O13 P2 S
• Molecular Weight: 679.498
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID101319148
• Mol file: 4090-29-3.mol

Synonyms:thio-NAD;thionicotinamide adenine dinucleotide;TNAD(+)

Chemical Property of Thionicotinamide-adenine-dinucleotide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 355.73000
• Density: g/cm³
• LogP: -0.76090
• Storage Temp.: −20°C
• XLogP3: -5.4
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 11
• Exact Mass: 679.08627911
• Heavy Atom Count: 44
• Complexity: 1130

Purity/Quality:

99.90% ^*data from raw suppliers

Thionicotinamide adenine dinucleotide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

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(=S)N
• 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(=S)N
• Description: Thionicotinamide adenine dinucleotide is an analog of NAD. Use of Thio-NAD instead of NAD as a substrate for NAD(+)-consuming enzymes is more advantageous since the reduced form of Thio-NAD exhibits a substantial increase in absorbance at 405 nM, the most commonly available wavelength on microplate readers.
• Uses: Thionicotinamide adenine dinucleotide has been used as a substrate analog in S-adenosyl-l-homocysteine (AdoHcy) hydrolases (SAHH) inhibition assay and in NAD+ glycohydrolase activity. Thionicotinamide adenine dinucleotide (thio-NAD) is a NAD (N407784) derivative used in the determination of Carnitine by an enzymic cycling method with carnitine dehydrogenase.

Technology Process of Thionicotinamide-adenine-dinucleotide

There total 1 articles about Thionicotinamide-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:

→ thio-nicotinamide adenine dinucleotide (4090-29-3)

Guidance literature:

/BRN= 3874983/;

Reference yield:

D-glyceraldehyde-3-phosphate (591-57-1) + thio-nicotinamide adenine dinucleotide (4090-29-3) → thio-NADH

Guidance literature:

With hydrogenchloride; disodium hydrogen arsenate heptahydrate; triethanolamine; ethylenediaminetetraacetic acid; Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase; water; 2-hydroxyethanethiol; 2-hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid; at 25 ℃; for 0.133333h; pH=7.5; Reagent/catalyst; Kinetics; aq. buffer; Enzymatic reaction;

DOI:10.1016/j.bmc.2009.01.079

Reference yield:

thio-nicotinamide adenine dinucleotide (4090-29-3) → S-NADH (1921-48-8)

Guidance literature:

With ethylenediaminetetraacetic acid; ethanol; alcohol dehydrogenase; at 25 ℃; for 0.5h; pH=8.4; phosphate buffer; Enzymatic reaction;

DOI:10.1080/15257770903044572

Downstream raw materials:

S-NADH

Refernces