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Oxythiamine

CAT: 0804-HY-107430-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-107430-02Size:10 mg
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Description
Oxythiamine (Hydroxythiamin), an analogue of anti-metabolite, can suppress the non-oxidative synthesis of ribose and induce cell apoptosis. Oxythiamine is a thiamine antagonist and inhibits transketolase (TK) . Oxythiamine inhibits cancer cell apoptosis and inhibits cell proliferation[1][2][3].
CAS Number
136-16-3
Product Name Alternative
Hydroxythiamin
UNSPSC
12352005
Target
Apoptosis; Endogenous Metabolite
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Oxythiamine.html
Purity
98.17
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CC1=C(CCO)SC=[N+]1CC2=CN=C(C)NC2=O
Molecular Formula
C12H16N3O2S
Molecular Weight
266.34
References & Citations
[1]Wang J, et al. Inhibition of transketolase by oxythiamine altered dynamics of protein signals in pancreatic cancer cells. Exp Hematol Oncol. 2013 Jul 27;2:18. |[2]Raïs B, et al. Oxythiamine and dehydroepiandrosterone induce a G1 phase cycle arrest in Ehrlich's tumor cells through inhibition of the pentose cycle. FEBS Lett. 1999 Jul 30;456 (1) :113-8. |[3]Bai L, et al. A dose- and time-dependent effect of oxythiamine on cell growth inhibition in non-small cell lung cancer. Cogn Neurodyn. 2022 Jun;16 (3) :633-641. |[4]Yang CM, et al. The in vitro and in vivo anti-metastatic efficacy of oxythiamine and the possible mechanisms of action. Clin Exp Metastasis. 2010 May;27 (5) :341-9.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Oxythiamine

Oxythiamine(1+) is a 1,3-thiazolium cation that is 5-(2-hydroxyethyl)-4-methyl-1,3-thiazole alkylated at the N3 position by a (2-methyl-4-oxo-1,4-dihydropyrimidin-5-yl)methyl group. It has a role as an antimetabolite and a vitamin B1 antagonist.

CAS Number136-16-3
PubChem CID8682
IUPAC Name5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one
Molecular FormulaC12H16N3O2S+
Molecular Weight266.34
XLogP0.1
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge1
Complexity395
SMILES
CC1=C(SC=[N+]1CC2=CN=C(NC2=O)C)CCO
InChI
InChI=1S/C12H15N3O2S/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17/h5,7,16H,3-4,6H2,1-2H3/p+1
InChIKey
SRDGSXVLAVRBLU-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of Oxythiamine
CAS: 136-16-3
CID: 8682
Formula: C12H16N3O2S+
MW: 266.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.34
XLogP30.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass266.09632294
Monoisotopic Mass266.09632294
Topological Polar Surface Area93.8 Ų
Heavy Atom Count18
Formal Charge1
Complexity395
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M33051-01Oxythiamine
4002126.01Oxythiamine · HCl
286194-01Oxythiamine HCl
T12354L-01Oxythiamine diphosphate
A20210-50Oxythiamine 50mg
TRC-O878515-10MGOxythiamine Monophosphate
A20210-500Oxythiamine 500mg
sc-286626AOxythiamine Hydrochloride
O878525Oxythiamine Triphosphate
A20210-100Oxythiamine 100mg

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