BTK inhibitor 10 is a potent orally bioactive Bruton kinase (BTK) inhibitor, disclosed in patent WO2018145525, Example 33. BTK inhibitor 10 may be used to be used in rheumatoid arthritis research.

Physicochemical Properties

Molecular Formula	C25H23N5O3
Molecular Weight	441.481825113297
Exact Mass	441.18
CAS #	2241732-30-7
PubChem CID	134827871
Appearance	Off-white to light yellow solid powder
LogP	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	33
Complexity	664
Defined Atom Stereocenter Count	0
SMILES	O1CCN(C2C=CC(=CC=2)C2=CC3=C(N=CN=C3N2)OC2C=CC=C(C=2)NC(C=C)=O)CC1
InChi Key	KLSYFSMLPFKXDQ-UHFFFAOYSA-N
InChi Code	InChI=1S/C25H23N5O3/c1-2-23(31)28-18-4-3-5-20(14-18)33-25-21-15-22(29-24(21)26-16-27-25)17-6-8-19(9-7-17)30-10-12-32-13-11-30/h2-9,14-16H,1,10-13H2,(H,28,31)(H,26,27,29)
Chemical Name	N-[3-[[6-(4-morpholin-4-ylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]oxy]phenyl]prop-2-enamide
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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
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

ln Vivo	In CIA mice, BTK inhibitor 10 (oral gavage; 30 mg/kg; once daily; 21 days) markedly reduced arthritic symptoms. Each of the mouse's four paws received a score ranging from 0 to 4, and the overall score for the limb was determined. In contrast to a control group score of 8.33, BTK030 decreased arthritis scores to 3.62 after 21 days of oral therapy [1].
Animal Protocol	Animal/Disease Models: DBA/1J mice injected with collagen as CIA model [1] Doses: 30 mg/kg Route of Administration: po (oral gavage); 21 days; one time/day Experimental Results: Compared with the control group, arthritis scores were Dramatically higher reduce.
References	[1]. Pyrrolo-aromatic heterocyclic compound, preparation method therefor, and medical use thereof. Patent WO2018145525.

Solubility Data

Solubility (In Vitro)

DMSO : ~50 mg/mL (~113.26 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (5.66 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 25.0 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	2.2651 mL	11.3255 mL	22.6511 mL
	5 mM	0.4530 mL	2.2651 mL	4.5302 mL
	10 mM	0.2265 mL	1.1326 mL	2.2651 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.