CB1 antagonist 2 Obtained from patent WO2016184310A1, the caimabinoid 1 (CB1) antagonist, compound 3, inhibits CB1 in vivo with IC50 of 25.5 nM.

Physicochemical Properties

Molecular Formula	C17H12CL3N3O
Molecular Weight	380.655680656433
Exact Mass	379.004
CAS #	614726-85-1
PubChem CID	66844170
Appearance	White to off-white solid powder
LogP	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	24
Complexity	458
Defined Atom Stereocenter Count	0
SMILES	N1(C2=CC=C(Cl)C=C2Cl)C(C2=CC=C(Cl)C=C2)=C(C)C(C(N)=O)=N1
InChi Key	BBUKVPCUOHFAQN-UHFFFAOYSA-N
InChi Code	InChI=1S/C17H12Cl3N3O/c1-9-15(17(21)24)22-23(14-7-6-12(19)8-13(14)20)16(9)10-2-4-11(18)5-3-10/h2-8H,1H3,(H2,21,24)
Chemical Name	5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methylpyrazole-3-carboxamide
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]. 4-methyl-diaryl -1H- pyrazole derivatives and their use as medicamentsFIELD.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~164.19 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (5.46 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 (5.46 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	2.6270 mL	13.1351 mL	26.2702 mL
	5 mM	0.5254 mL	2.6270 mL	5.2540 mL
	10 mM	0.2627 mL	1.3135 mL	2.6270 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.