Products for Research Use Only
RegisterLogin

Thiamine disulfide

CAT: 0804-HY-B2224Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-B2224Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Thiamine disulfide, a vitamin B1 derivative, is an oxidized dimer of Thiamine. Thiamine disulfide is a potent HIV-1 inhibitor. Thiamine disulfide significantly depresses HIV-1 transactivator (Tat) activity[1][2].
CAS Number
67-16-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite; HIV
Type
Reference compound
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Infection; Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/thiamine-disulfide.html
Purity
99.54
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
C/C(N(CC1=CN=C(C)N=C1N)C=O)=C(SS/C(CCO)=C(N(CC2=CN=C(C)N=C2N)C=O)\C)/CCO
Molecular Formula
C24H34N8O4S2
Molecular Weight
562.71
Precautions
H302, H315, H319, H335
References & Citations
[1]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.|[2]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.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
Launched
Isoform
HIV-1

Chemical Information

Thiamine Disulfide

structure

CAS Number67-16-3
PubChem CID3038097
IUPAC NameN-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
Molecular FormulaC24H34N8O4S2
Molecular Weight562.7
XLogP-0.5
Topological Polar Surface Area235
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Heavy Atom Count38
Formal Charge0
Complexity767
SMILES
CC1=NC=C(C(=N1)N)CN(/C(=C(\SS/C(=C(\N(C=O)CC2=CN=C(N=C2N)C)/C)/CCO)/CCO)/C)C=O
InChI
InChI=1S/C24H34N8O4S2/c1-15(31(13-35)11-19-9-27-17(3)29-23(19)25)21(5-7-33)37-38-22(6-8-34)16(2)32(14-36)12-20-10-28-18(4)30-24(20)26/h9-10,13-14,33-34H,5-8,11-12H2,1-4H3,(H2,25,27,29)(H2,26,28,30)/b21-15-,22-16-
InChIKey
GFEGEDUIIYDMOX-BMJUYKDLSA-N
Chemical Structure
2D Structure
2D structure of Thiamine Disulfide
CAS: 67-16-3
CID: 3038097
Formula: C24H34N8O4S2
MW: 562.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight562.7
XLogP3-0.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count12
Rotatable Bond Count13
Exact Mass562.21444394
Monoisotopic Mass562.21444394
Topological Polar Surface Area235 Ų
Heavy Atom Count38
Formal Charge0
Complexity767
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
HY-B2223-01Thiamine nitrate
HY-113076-01Thiamine pyrophosphate
HY-N0680-01Thiamine (hydrochloride)
HY-B2212-01Dibenzoyl Thiamine
HY-A0100-01Thiamine monochloride
HY-E70624Thiamine pyrophosphate tetrahydrate
HY-N0680S1Thiamine-d3 (hydrochloride)
HY-B2223R-01Thiamine nitrate (Standard)
HY-N0680S3Thiamine-13C3 (hydrochloride)
HY-A0100R-01Thiamine monochloride (Standard)

Alternative Products

CatalogName
T20062-01Thiamine disulfide
TYD-01506-01Thiamine disulfide dinitrate
MBS6051475-01Thiamine Disulfide Hydrate
AR-T01822-01Thiamine Disulfide-d6
290951-01Thiamine Tetrahydrofurfuryl Disulfide
sc-296530Thiamine Disulfide Nitrate
RM-T090942-01Thiamine Disulfide Impurity 2
RM-T090941-01Thiamine Disulfide Impurity 1
AR-T04783-01Thiamine Impurity 3 (Neothiamin Disulfide)
YP-W78366-01Bovine Thiamine (VB1; Thiamine) ELISA Kit

Popular Products