Oxythiamine (Hydroxythiamine) chloride HCl is an antimetabolite analogue that can inhibit the non-oxidative synthesis of ribose and causes apoptosis. Oxythiamine chloride HCl is a thiamine antagonist that can inhibit transketolase (TK). Oxythiamine chloride HCl inhibits apoptosis of cancer cells and inhibits cell proliferation/growth.

Physicochemical Properties

Molecular Formula	C12H16N3O2S.CLH.CL
Molecular Weight	351.25200
Exact Mass	337.041
CAS #	614-05-1
Related CAS #	Oxythiamine;136-16-3
PubChem CID	101796
Appearance	White to off-white solid powder
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	4
Heavy Atom Count	20
Complexity	395
Defined Atom Stereocenter Count	0
SMILES	CC1=C(CCO)SC=[N+]1CC2=C(N=C(C)N=C2)N=O.Cl.[Cl-]
InChi Key	HGYQKVVWNZFPJS-UHFFFAOYSA-N
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
Chemical Name	5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-2-methyl-1H-pyrimidin-6-one;chloride;hydrochloride
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	Vitamin B1, Thiamine, Transketolase[1].
ln Vitro	Oxythiamine chloride hydrochloride (0-40 μM, 2 days) reduces MIA PaCa-2 cell viability (IC50: 14.95 μM)[1]. In MIA PaCa-2 cells, oxythiamine chloride hydrochloride (0-500 μM, 48 hours) suppresses the expression of 14-3-3 protein beta/alpha [1]. A549 cell proliferation is inhibited by oxythiamine chloride hydrochloride (0.1-100 μM, 6-48 h)[3]. The apoptosis of A549 cells is induced by oxythiamine chloride hydrochloride (0.1-100 μM, 24 h)[3]. [3]. Lewis lung cancer (LLC) cell invasion and migration are inhibited by oxythiamine chloride hydrochloride (0–20 μM) (IC50: 8.75 μM)[4].
ln Vivo	In Ehrlich ascites host mice, oxythiamine chloride hydrochloride (100–500 mg/kg, intraperitoneal for 4 days) suppresses tumor growth [2]. In mice implanted with (sc) LLC cells, oxythiamine chloride hydrochloride (250 or 500 mg/kg once day for 5 weeks) reduces tumor cell metastasis via blocking MMPs [4].
Cell Assay	Cell Viability Assay[1] Cell Types: MIA PaCa-2 cells Tested Concentrations: 0-40 μM Incubation Duration: 2 days Experimental Results: Inhibited cell viability with an IC50 of 14.95 μM. Western Blot Analysis[1] Cell Types: MIA PaCa-2 cells Tested Concentrations: 0, 5, 50, 500 μM Incubation Duration: 48 h Experimental Results: Inhibited 14-3-3 protein beta/ alpha expression, and increased alpha-enolase.
Animal Protocol	Animal/Disease Models: Ehrlich's ascites tumor hosting mice[2] Doses: 100-500 mg/kg Route of Administration: ip, 4 days Experimental Results: Inhibited tumor growth by 43% at 300 mg/kg and 84% at 500 mg/kg.
References	[1]. Inhibition of transketolase by oxythiamine altered dynamics of protein signals in pancreatic cancer cells. Exp Hematol Oncol. 2013 Jul 27;2:18. [2]. 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]. 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]. 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.
Additional Infomation	Oxythiamine chloride hydrochloride is a hydrochloride obtained by combining oxythiamine chloride with one molar equivalent of hydrochloric acid. It has a role as an antimetabolite and a vitamin B1 antagonist. It contains an oxythiamine chloride.

Solubility Data

Solubility (In Vitro)

DMSO : 50 mg/mL (147.82 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.15 mM) (saturation unknown) in 10% DMSO + 40% PEG300 +5% Tween-80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 + to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.8470 mL	14.2349 mL	28.4698 mL
	5 mM	0.5694 mL	2.8470 mL	5.6940 mL
	10 mM	0.2847 mL	1.4235 mL	2.8470 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.