KRM-III is a potent orally bioactive T cell antigen receptor (TCR) inhibitor. KRM-III inhibits TCR and myristate acetate/phorbolomycin/ionomycin-induced NFAT nuclear factor activation and T cell proliferation/growth with IC50 of approximately 5 μM. Anti-inflammatory activity.

Physicochemical Properties

Molecular Formula	C15H12N2S
Molecular Weight	252.33
Exact Mass	252.072
CAS #	79220-94-3
PubChem CID	736689
Appearance	Off-white to light brown solid powder
LogP	3.828
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	18
Complexity	338
Defined Atom Stereocenter Count	0
InChi Key	QKOAQVKXZJFMET-UHFFFAOYSA-N
InChi Code	InChI=1S/C15H12N2S/c18-15-16-14(12-7-3-1-4-8-12)11-17(15)13-9-5-2-6-10-13/h1-11H,(H,16,18)
Chemical Name	3,5-diphenyl-1H-imidazole-2-thione
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]. Oral administration of 1,4-aryl-2-mercaptoimidazole inhibits T-cell proliferation and reduces clinical severity in the murine experimental autoimmune encephalomyelitis model. J Pharmacol Exp Ther. 2009 Dec;331(3):1005-13.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (396.31 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.91 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 (9.91 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	3.9631 mL	19.8153 mL	39.6306 mL
	5 mM	0.7926 mL	3.9631 mL	7.9261 mL
	10 mM	0.3963 mL	1.9815 mL	3.9631 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.