Oxythiamine (chloride hydrochloride)

Oxythiamine is a thiamine antimetabolite that has anticancer activities. It is converted by thiamine pyrophosphokinase to oxythiamine pyrophosphate, a transketolase inhibitor. Oxythiamine (5 mM) decreases transketolase activity in and is cytotoxic to MDA-MB-231 breast cancer cells. It inhibits the nonoxidative synthesis of ribose and decreases RNA and DNA synthesis in MIA PaCa-2 pancreatic cancer cells when used at a concentration of 0.5 µM. In vivo, oxythiamine (400 and 500 mg/kg per day) induces cell cycle arrest at the G1 phase and apoptosis in an Ehrlich murine spontaneous adenocarcinoma model. Oxythiamine, in combination with sorafenib, reduces tumor growth in an SMMC mouse xenograft model. It has also been used to induce thiamine deficiency in mice.Formal Name: 3-[(1,6-dihydro-2-methyl-6-oxo-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-thiazolium, monochloride, monohydrochloride. CAS Number: 614-05-1. Molecular Formula: C12H16N3O2S . Cl [HCl]. Formula Weight: 338.3. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: PBS (pH 7.2): 10mg/mL. lambdamax: 221, 270 nm. SMILES: CC(N1)=NC=C(C[N+]2=CSC(CCO)=C2C)C1=O.[Cl-].Cl. InChi Code: InChI=1S/C12H15N3O2S.2ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17,,/h5,7,16H,3-4,6H2,1-2H3,2*1H. InChi Key: HGYQKVVWNZFPJS-UHFFFAOYSA-N.