GDC-4379 is a JAK1 inhibitor for asthma research.

Physicochemical Properties

Molecular Formula	C21H18CLF2N7O3
Molecular Weight	489.862529277802
Exact Mass	489.112
CAS #	2252277-73-7
PubChem CID	135378781
Appearance	Off-white to light yellow solid powder
LogP	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	34
Complexity	737
Defined Atom Stereocenter Count	0
SMILES	C12=C(C(NC3=CN(CC(N(C)C)=O)N=C3C3=CC(Cl)=CC=C3OC(F)F)=O)C=NN1C=CC=N2
InChi Key	QGVNXQDNNLLREZ-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H18ClF2N7O3/c1-29(2)17(32)11-30-10-15(27-20(33)14-9-26-31-7-3-6-25-19(14)31)18(28-30)13-8-12(22)4-5-16(13)34-21(23)24/h3-10,21H,11H2,1-2H3,(H,27,33)
Chemical Name	N-[3-[5-chloro-2-(difluoromethoxy)phenyl]-1-[2-(dimethylamino)-2-oxoethyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-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]. Efficient, Protecting Group Free Kilogram-Scale Synthesis of the JAK1 Inhibitor GDC-4379. Org. Process Res. Dev. 2021, 25, 11, 2537-2550.

Solubility Data

Solubility (In Vitro)

DMSO : ~31.25 mg/mL (~63.79 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 3.13 mg/mL (6.39 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 31.3 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	2.0414 mL	10.2070 mL	20.4140 mL
	5 mM	0.4083 mL	2.0414 mL	4.0828 mL
	10 mM	0.2041 mL	1.0207 mL	2.0414 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.