JAK-IN-3 is a novel and potent JAK inhibitor with immuomodulatory (anti-inflammatory and anti-RA) activity. It inhibits JAK3, JAK1, TYK2 and JAK2 with IC50 values of 3 nM, 5 nM, 34 nM and 70 nM, respectively.

Physicochemical Properties

Molecular Formula	C18H20N4O3
Molecular Weight	340.38
Exact Mass	340.153
CAS #	1400876-94-9
PubChem CID	68291755
Appearance	Light brown to brown solid powder
LogP	1.2
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	25
Complexity	458
Defined Atom Stereocenter Count	2
SMILES	[C@H](NC1C2N(C=C(C3=CC=CC=C3)C=2)N=CC=1C(N)=O)([C@H](O)C)CO
InChi Key	PRWQQLFMBINSAW-IAQYHMDHSA-N
InChi Code	InChI=1S/C18H20N4O3/c1-11(24)15(10-23)21-17-14(18(19)25)8-20-22-9-13(7-16(17)22)12-5-3-2-4-6-12/h2-9,11,15,21,23-24H,10H2,1H3,(H2,19,25)/t11-,15-/m1/s1
Chemical Name	4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]-6-phenylpyrrolo[1,2-b]pyridazine-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]. Discovery of a JAK1/3 Inhibitor and Use of a Prodrug To Demonstrate Efficacy in a Model of Rheumatoid Arthritis. ACS Med Chem Lett. 2019 Feb 13;10(3):306-311.

Solubility Data

Solubility (In Vitro)

DMSO : ~62.5 mg/mL (~183.62 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (6.11 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 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	2.9379 mL	14.6895 mL	29.3789 mL
	5 mM	0.5876 mL	2.9379 mL	5.8758 mL
	10 mM	0.2938 mL	1.4689 mL	2.9379 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.