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614-05-1

614-05-1 Structure

614-05-1 Structure
IdentificationBack Directory
[Name]

OXYTHIAMINE HYDROCHLORIDE
[CAS]

614-05-1
[Synonyms]

OXYTHIAMINE HCL
OXYTHIAMINE HYDROCHLORIDE
Oxametholone Hydrochloride
OXYTHIAMINE CHLORIDE HYDROCHLORIDE
OXYTHIAMINE CHLORIDE HCL CRYSTALLINE
hydroxythiaminechloridehydrochloride
hyl)-4-methyl-,chloride,monohydrochloride
5-(2-HYDROXYETHYL)-3-(4-HYDROXY-2-METHYL-5-PYRIMIDINYLMETHYL)-4-METHYLTHIAZOLIUM CHLORIDE
5-[2-HYDROXYETHYL]-3-[4-HYDROXY-2-METHYL-5-PYRIMIDINYLMETHYL]-4-METHYLTHIAZOLIUM CHLORIDE HYDROCHLORIDE
5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride hydrochloride
5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one chloride hydrochloride
5-(2-Hydroxyethyl)-4-methyl-3-[(2-methyl-6-oxo-1,6-dihydro-5-pyrimidinyl)methyl]-1,3-thiazol-3-ium chloride hydrochloride (1:1:1)
[Molecular Formula]

C12H17Cl2N3O2S
[MDL Number]

MFCD00050656
[MOL File]

614-05-1.mol
[Molecular Weight]

338.25
Chemical PropertiesBack Directory
[Melting point ]

>190°C (subl.)
[storage temp. ]

−20°C
[solubility ]

DMSO (Slightly, Heated), Methanol (Slightly), Water (Slightly)
[form ]

Solid
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChI]

1S/C12H16N3O2S.2ClH/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,(H,13,14,17);2*1H
[InChIKey]

QHUYPZVMEJLSEB-UHFFFAOYSA-N
[SMILES]

CC(N1)=NC=C(C[N+]2=CSC(CCO)=C2C)C1=O.Cl.[Cl-]
Hazard InformationBack Directory
[Uses]

thiamine antagonist
[Definition]

ChEBI: A hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid.
[General Description]

Oxythiamine is a thiamine antimetabolite and the source through diet is by consuming acidic thiamine rich foods.
[Biochem/physiol Actions]

Oxythiamine (OT) is a thiamine antagonist. It is a transketolase inhibitor and is employed to study anti-metastatic mechanisms, especially those involving metalloproteinases (MMP). It significantly sensitizes human hepatocellular carcinoma cells (HCC) to sorafenib, favoring tumor suppression.
[in vivo]

Oxythiamine chloride hydrochloride (100-500 mg/kg, i.p. 4 days) inhibits tumor growth in Ehrlich's ascites tumor hosting mice[2].
Oxythiamine chloride hydrochloride (250 or 500 mg/kg, daily for 5 week) inhibits tumor cell metastasis via inhibition of MMPs in mice implanted (s.c.) with LLC cells[4].

Animal Model:Ehrlich's ascites tumor hosting mice[2]
Dosage:100-500 mg/kg
Administration:i.p., 4 days
Result:Inhibited tumor growth by 43% at 300 mg/kg and 84% at 500 mg/kg.
[storage]

Store at -20°C
Safety DataBack Directory
[WGK Germany ]

3
[RTECS ]

XJ7034100
[Storage Class]

11 - Combustible Solids
Spectrum DetailBack Directory
[Spectrum Detail]

OXYTHIAMINE HYDROCHLORIDE(614-05-1)IR1
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