JAK-IN-14 is a potent and specific JAK1 pairing with IC50 of less than 5 μM. The selectivity of JAK-IN-14 for JAK1 is >8 times that of JAK2 and JAK3 (patent WO201611970A1, compound 16).

Physicochemical Properties

Molecular Formula	C19H15FN4O
Molecular Weight	334.35
Exact Mass	334.122
CAS #	1973485-06-1
PubChem CID	122462783
Appearance	Off-white to light yellow solid powder
LogP	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	25
Complexity	557
Defined Atom Stereocenter Count	0
SMILES	C1=CC(C2N3C=C(NC(C4CC4)=O)N=C3C=CC=2)=C(C=C1CC#N)F
InChi Key	MQLCYDOEKWSOBQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C19H15FN4O/c20-15-10-12(8-9-21)4-7-14(15)16-2-1-3-18-22-17(11-24(16)18)23-19(25)13-5-6-13/h1-4,7,10-11,13H,5-6,8H2,(H,23,25)
Chemical Name	N-[5-[4-(cyanomethyl)-2-fluorophenyl]imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide
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]. Substituted imidazo [1, 2-a] pyridin-2-ylamine compounds, and pharmaceutical compositions and methods of use thereof. WO2016119700A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~10.5 mg/mL (~31.40 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.05 mg/mL (3.14 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 10.5 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: 1.05 mg/mL (3.14 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 10.5 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: ≥ 1.05 mg/mL (3.14 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 10.5 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	2.9909 mL	14.9544 mL	29.9088 mL
	5 mM	0.5982 mL	2.9909 mL	5.9818 mL
	10 mM	0.2991 mL	1.4954 mL	2.9909 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.