AS1810722 is an orally bioactive STAT6 inhibitor (antagonist) with IC50 of 1.9 nM. AS1810722 shows good CYP3A4 inhibition. AS1810722 is a fused bicyclic pyrimidine analogue with potential for research into allergic diseases such as asthma and atopy.

Physicochemical Properties

Molecular Formula	C25H25F2N7O
Molecular Weight	477.509111166
Exact Mass	477.208
CAS #	909561-15-5
PubChem CID	44208030
Appearance	Brown to black solid powder
LogP	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	35
Complexity	691
Defined Atom Stereocenter Count	0
SMILES	FC1C=C(C=C(C=1)CN1C=CC2=CN=C(N=C12)NC1C=CC(=CC=1)N1CCN(CC(N)=O)CC1)F
InChi Key	IJFRMEXSGYTWGY-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H25F2N7O/c26-19-11-17(12-20(27)13-19)15-34-6-5-18-14-29-25(31-24(18)34)30-21-1-3-22(4-2-21)33-9-7-32(8-10-33)16-23(28)35/h1-6,11-14H,7-10,15-16H2,(H2,28,35)(H,29,30,31)
Chemical Name	2-[4-[4-[[7-[(3,5-difluorophenyl)methyl]pyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]acetamide
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

Targets	STAT6 1.9 nM (IC50) CYP3A4
ln Vitro	AS1810722 (compound 24) has no effect on the production of IFN-γ but suppresses the synthesis of IL-4 with an IC50 of 2.4 nM [1].
ln Vivo	In an antigen-induced mouse asthma paradigm called Infiltration, AS1810722 (Compound 24; 0.03-0.3 mg/kg; oral; 30 minutes before OVA exposure, 24 hours, and 48 hours after OVA exposure) suppresses pulmonary eosinophils in a dose-dependent manner[1]. In an antigen-induced mouse asthma model, AS1810722 suppresses Th2 differentiation in vitro with an IC50 of 2.4 nM following oral administration; it has no effect on the differentiation of type 1 helper T (Th1) cells or eosinophil infiltration[1].
Animal Protocol	Animal/Disease Models: Female balb/c (Bagg ALBino) mouse asthmatic model by intraperitoneal (ip) injection of ovalbumin (OVA)-containing aluminum hydroxide gel[1] Doses: 0.03-0.3 mg/kg Route of Administration: po (oral gavage) 30 min before, and 24 and 48 h after OVA exposure Experimental Results: Suppressed eosinophil infiltration in the lung in a dose-dependent manner.
References	[1]. Novel 7H-pyrrolo[2,3-d]pyrimidine derivatives as potent and orally active STAT6 inhibitors. Bioorg Med Chem. 2009 Oct 1;17(19):6926-36.

Solubility Data

Solubility (In Vitro)

DMSO: 62.5 mg/mL (130.89 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.08 mg/mL (4.36 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 sonication. 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	2.0942 mL	10.4710 mL	20.9420 mL
	5 mM	0.4188 mL	2.0942 mL	4.1884 mL
	10 mM	0.2094 mL	1.0471 mL	2.0942 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.