FTO-IN-1 TFA is an inhibitor (blocker/antagonist) of fat and obesity-related enzymes (FTO) with IC50 of <1 μM. FTO-IN-1 TFA may be utilized in cancer research. For more details, check and find compound 32 from the patent WO2018157843A1.

Physicochemical Properties

Molecular Formula	C20H17CL2F3N4O4
Molecular Weight	505.274593114853
Exact Mass	504.057
CAS #	2797619-81-7
Related CAS #	FTO-IN-1;2243944-92-3
PubChem CID	162642722
Appearance	Off-white to light brown solid powder
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	4
Heavy Atom Count	33
Complexity	569
Defined Atom Stereocenter Count	0
InChi Key	QHFDCFXIEHIDKJ-UHFFFAOYSA-N
InChi Code	InChI=1S/C18H16Cl2N4O2.C2HF3O2/c1-9-16(10(2)23-22-9)11-7-13(19)17(14(20)8-11)21-15-6-4-3-5-12(15)18(25)24-26;3-2(4,5)1(6)7/h3-8,21,26H,1-2H3,(H,22,23)(H,24,25);(H,6,7)
Chemical Name	2-[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-N-hydroxybenzamide;2,2,2-trifluoroacetic acid
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

Targets	IC50: <1 μM (FTO)[1]
ln Vitro	In vitro, FTO-IN-1 TFA (50 μM) inhibits 62% of the activity of the FTO enzyme[1]. The viability of SCLC-21H, RH30, and KP3 cells is inhibited by FTO-IN-1 TFA (50 μM), with IC50s of 2.1 μM, 5.3 μM, and 5.6 μM, respectively[1].
References	[1]. 2-(substituted benzene matrix) aromatic formate fto inhibitor, preparation method therefor, and applications thereof. WO2018157843A1.

Solubility Data

Solubility (In Vitro)

DMSO: 50 mg/mL (98.96 mM) H2O: < 0.1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.08 mg/mL (4.12 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 (4.12 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	1.9791 mL	9.8957 mL	19.7914 mL
	5 mM	0.3958 mL	1.9791 mL	3.9583 mL
	10 mM	0.1979 mL	0.9896 mL	1.9791 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.