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

Physicochemical Properties

Molecular Formula	C30H36FN7O5
Molecular Weight	593.649149894714
Exact Mass	593.276
CAS #	2416307-25-8
Related CAS #	KER047;2248154-85-8
PubChem CID	154573787
Appearance	Light yellow to yellow solid powder
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	7
Heavy Atom Count	43
Complexity	794
Defined Atom Stereocenter Count	0
SMILES	FC1C(=CC2C(C=1)=NC=CC=2C1C=NN2C=1N=CC(=C2)N1CCC(CC1)N1CCN(C)CC1)OC.OC(CCC(=O)O)=O
InChi Key	HSNCQJZBFVYYOY-UHFFFAOYSA-N
InChi Code	InChI=1S/C26H30FN7O.C4H6O4/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;5-3(6)1-2-4(7)8/h3,6,13-18H,4-5,7-12H2,1-2H3;1-2H2,(H,5,6)(H,7,8)
Chemical Name	butanedioic acid;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 Note: Please store this product in a sealed and protected environment, avoid exposure to moisture.
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 : ~2 mg/mL (~3.37 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 0.2 mg/mL (0.34 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 2.0 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: ≥ 0.2 mg/mL (0.34 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 2.0 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. Solubility in Formulation 3: ≥ 0.2 mg/mL (0.34 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 2.0 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	1.6845 mL	8.4225 mL	16.8449 mL
	5 mM	0.3369 mL	1.6845 mL	3.3690 mL
	10 mM	0.1684 mL	0.8422 mL	1.6845 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.