BTR-1 is an active anti-cancer compound that can induce cell cycle S-phase arrest and affect DNA replication. BTR-1 can activate apoptosis, leading to cell death.

Physicochemical Properties

Molecular Formula	C12H11NOS2
Molecular Weight	249.35184
Exact Mass	249.028
Elemental Analysis	C, 57.80; H, 4.45; N, 5.62; O, 6.42; S, 25.72
CAS #	18331-34-5
Related CAS #	18331-34-5
PubChem CID	2244563
Appearance	Solid
Density	1.34g/cm3
Boiling Point	372.8ºC at 760mmHg
Flash Point	179.3ºC
Vapour Pressure	9.34E-06mmHg at 25°C
Index of Refraction	1.692
LogP	2.845
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	16
Complexity	332
Defined Atom Stereocenter Count	0
SMILES	C(N1C(=O)/C(=C\C2C=CC=CC=2)/SC1=S)C
InChi Key	ZQDPYAPUFMILTB-UHFFFAOYSA-N
InChi Code	InChI=1S/C12H11NOS2/c1-2-13-11(14)10(16-12(13)15)8-9-6-4-3-5-7-9/h3-8H,2H2,1H3
Chemical Name	5-benzylidene-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Synonyms	BTR-1
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
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	Apoptosis
ln Vitro	BTR-1 (10, 50, 100, and 250 µM, 5 days) causes cytotoxicity in human leukemic cells, with IC50s of 8 and 6 µM at 48 and 72 h, respectively[1].
References	[1]. Novel rhodanine derivatives induce growth inhibition followed by apoptosis. Bioorg Med Chem Lett. 2010 Nov 1;20(21):6297-301.

Solubility Data

Solubility (In Vitro)

DMSO: 13~25 mg/mL (52.1~100.26 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (8.34 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 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. Solubility in Formulation 2: ≥ 2.08 mg/mL (8.34 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (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 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	4.0104 mL	20.0521 mL	40.1043 mL
	5 mM	0.8021 mL	4.0104 mL	8.0209 mL
	10 mM	0.4010 mL	2.0052 mL	4.0104 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.