Name: Name:Thiamine disulfide
Brand: AABLOCKS
SKU: AA003UP0
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA003UP0

Chemical Name: Thiamine disulfide

CAS Number: 67-16-3

Molecular Formula: C24H34N8O4S2

Molecular Weight: 562.7080

MDL Number: MFCD00010427

SMILES: OCC/C(=C(\N(Cc1cnc(nc1N)C)C=O)/C)/SS/C(=C(\N(Cc1cnc(nc1N)C)C=O)/C)/CCO

Properties

Form: Solid

MP: 177° with intense yellow coloration

Refractive Index: 1.7400 (estimate)

Storage: 2-8℃;

Complexity: 767

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 2

Formal Charge: 0

Heavy Atom Count: 38

Hydrogen Bond Acceptor Count: 12

Hydrogen Bond Donor Count: 4

Isotope Atom Count: 0

Rotatable Bond Count: 13

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: -0.5

Literature fold

Title: Oxidation of thiamine on reaction with nitrogen dioxide generated by ferric myoglobin and hemoglobin in the presence of nitrite and hydrogen peroxide.

Journal: Biochemistry. Biokhimiia20120101

Title: Thiamine inhibits formation of dityrosine, a specific marker of oxidative injury, in reactions catalyzed by oxoferryl forms of hemoglobin.

Journal: Biochemistry. Biokhimiia20080901

Title: Benfotiamine, a synthetic S-acyl thiamine derivative, has different mechanisms of action and a different pharmacological profile than lipid-soluble thiamine disulfide derivatives.

Journal: BMC pharmacology20080101

Title: Thiamine and vasculopathies.

Journal: Prostaglandins, leukotrienes, and essential fatty acids20050201

Title: Bioavailability of theophylline and thiamine disulfide incorporated into mucoadhesive microspheres consisting of dextran derivatives and cellulose acetate butyrate.

Journal: Biological & pharmaceutical bulletin20031201

Title: Zinc ejection as a new rationale for the use of cystamine and related disulfide-containing antiviral agents in the treatment of AIDS.

Journal: Journal of medicinal chemistry19970620

Title: Thiamine disulfide as a potent inhibitor of human immunodeficiency virus (type-1) production.

Journal: Biochemical and biophysical research communications19941130

Title: S Shoji, et al. Thiamine disulfide as a potent inhibitor of human immunodeficiency virus (type-1) production. Biochem Biophys Res Commun. 1994 Nov 30;205(1):967-75.

Title: Y Komata, et al. In vitro percutaneous absorption of thiamine disulfide from a mixture of propylene glycol and fatty acid. J Pharm Sci. 1992 Aug;81(8):744-6.

67-16-3 | Thiamine disulfide