ALK2-IN-4 is an effective ALK2 inhibitor. For more details, check and find patent WO2020086963A1, compound Formula I free base.

Physicochemical Properties

Molecular Formula	C26H30FN7O
Molecular Weight	475.561108112335
Exact Mass	475.249
CAS #	2248154-85-8
Related CAS #	KER047 succinate;2416307-25-8
PubChem CID	142464264
Appearance	Light yellow to yellow solid powder
LogP	2.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Heavy Atom Count	35
Complexity	701
Defined Atom Stereocenter Count	0
SMILES	FC1C(=CC2C(C=1)=NC=CC=2C1C=NN2C=1N=CC(=C2)N1CCC(CC1)N1CCN(C)CC1)OC
InChi Key	UYQADNMBNQEQQG-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H30FN7O/c1-31-9-11-33(12-10-31)18-4-7-32(8-5-18)19-15-29-26-22(16-30-34(26)17-19)20-3-6-28-24-14-23(27)25(35-2)13-21(20)24/h3,6,13-18H,4-5,7-12H2,1-2H3
Chemical Name	7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
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]. Crystal forms of an alk2 inhibitor. WO2020086963A1.

Solubility Data

Solubility (In Vitro)

DMSO : ~10 mg/mL (~21.03 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1 mg/mL (2.10 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 10.0 mg/mL clear DMSO stock solution to 400 μL of PEG300 and mix evenly; then add 50 μL of Tween-80 to the above solution and mix evenly; then add 450 μL of 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 mg/mL (2.10 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 10.0 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	2.1028 mL	10.5139 mL	21.0278 mL
	5 mM	0.4206 mL	2.1028 mL	4.2056 mL
	10 mM	0.2103 mL	1.0514 mL	2.1028 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.