KM02894 is a glutamate release inhibitor. Cancer cells release high levels of glutamate, which can disrupt normal bone turnover and may contribute to cancer-induced bone pain. KM02894 may be utilized in oncology-related research.

Physicochemical Properties

Molecular Formula	C7H9N3OS2
Molecular Weight	215.30
Exact Mass	215.019
CAS #	116850-74-9
PubChem CID	2819872
Appearance	White to off-white solid powder
LogP	1.659
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	13
Complexity	210
Defined Atom Stereocenter Count	0
SMILES	CNC(NNC(C1=CC=CS1)=O)=S
InChi Key	SYXUJKFYUBHYNO-UHFFFAOYSA-N
InChi Code	InChI=1S/C7H9N3OS2/c1-8-7(12)10-9-6(11)5-3-2-4-13-5/h2-4H,1H3,(H,9,11)(H2,8,10,12)
Chemical Name	1-methyl-3-(thiophene-2-carbonylamino)thiourea
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

References

[1]. Fazzari J, et.al. Inhibitors of glutamate release from breast cancer cells; new targets for cancer-induced bone-pain. Sci Rep. 2015 Feb 11;5:8380.

Solubility Data

Solubility (In Vitro)

DMSO: 33.33 mg/mL (154.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (11.61 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 25.0 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: ≥ 2.5 mg/mL (11.61 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (11.61 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 25.0 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	4.6447 mL	23.2234 mL	46.4468 mL
	5 mM	0.9289 mL	4.6447 mL	9.2894 mL
	10 mM	0.4645 mL	2.3223 mL	4.6447 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.