FLT3-IN-6 is a potent and specific inhibitor of FLT3-ITD (FLT3 mutant) with IC50 of 1.336 nM.

Physicochemical Properties

Molecular Formula	C23H25N5O3
Molecular Weight	419.48
Exact Mass	419.195
CAS #	2377141-31-4
PubChem CID	138454787
Appearance	White to off-white solid powder
Density	1.4±0.1 g/cm3
Boiling Point	603.1±55.0 °C at 760 mmHg
Flash Point	318.6±31.5 °C
Vapour Pressure	0.0±1.7 mmHg at 25°C
Index of Refraction	1.691
LogP	3.35
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	31
Complexity	606
Defined Atom Stereocenter Count	0
InChi Key	OKFAZZUSWJWRJN-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H25N5O3/c1-28-10-8-18(9-11-28)24-17-5-2-15(3-6-17)23(29)25-22-13-19(26-27-22)16-4-7-20-21(12-16)31-14-30-20/h2-7,12-13,18,24H,8-11,14H2,1H3,(H2,25,26,27,29)
Chemical Name	N-[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
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	IC50: 1.336 nM (FLT3-ITD)[1]
References	[1]. Combining structure- and property-based optimization to identify selective FLT3-ITD inhibitors with good antitumor efficacy in AML cell inoculated mouse xenograft model. Eur J Med Chem. 2019 Aug 15;176:248-267.

Solubility Data

Solubility (In Vitro)

DMSO: 250 mg/mL (595.98 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.96 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 20.8 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: ≥ 2.08 mg/mL (4.96 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. Solubility in Formulation 3: ≥ 2.08 mg/mL (4.96 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 20.8 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	2.3839 mL	11.9195 mL	23.8390 mL
	5 mM	0.4768 mL	2.3839 mL	4.7678 mL
	10 mM	0.2384 mL	1.1920 mL	2.3839 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.