Cot inhibitor-1 (compound 28) is a selective Tpl2 kinase inhibitor (antagonist) with IC50 of 28 nM. Cot inhibitor-1 inhibits TNF-alpha production in human whole blood with IC50 of 5.7 nM.

Physicochemical Properties

Molecular Formula	C27H27N8FCL2
Molecular Weight	553.46128
Exact Mass	552.172
CAS #	915365-57-0
PubChem CID	11584834
Appearance	Light yellow to yellow solid powder
Density	1.42g/cm3
Boiling Point	729.961ºC at 760 mmHg
Flash Point	395.267ºC
Index of Refraction	1.692
LogP	6.459
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Heavy Atom Count	38
Complexity	792
Defined Atom Stereocenter Count	0
InChi Key	ZWFKJFUFYPOTKL-UHFFFAOYSA-N
InChi Code	InChI=1S/C27H27Cl2FN8/c28-23-12-19(5-6-25(23)30)34-26-18(14-31)15-33-27-22(26)11-20(13-24(27)29)32-16-21-17-38(36-35-21)10-9-37-7-3-1-2-4-8-37/h5-6,11-13,15,17,32H,1-4,7-10,16H2,(H,33,34)
Chemical Name	6-[[1-[2-(azepan-1-yl)ethyl]triazol-4-yl]methylamino]-8-chloro-4-(3-chloro-4-fluoroanilino)quinoline-3-carbonitrile
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]. Selective inhibitors of tumor progression loci-2 (Tpl2) kinase with potent inhibition of TNF-alpha production in human whole blood. Bioorg Med Chem Lett. 2009 Jul 1;19(13):3485-8.

Solubility Data

Solubility (In Vitro)

DMSO : ~25 mg/mL (~45.17 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (4.52 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 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.8068 mL	9.0341 mL	18.0682 mL
	5 mM	0.3614 mL	1.8068 mL	3.6136 mL
	10 mM	0.1807 mL	0.9034 mL	1.8068 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.