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Chemical structure of FTO-IN-1 TFA

GC62240

FTO-IN-1 TFA

Also known as 2-[2,6-dichloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)anilino]-N-hydroxybenzamide;2,2,2-trifluoroacetic acid

FTO-IN-1 TFA is a fat mass and obesity-associated enzyme (FTO) inhibitor extracted from patent WO2018157843A1, compound 32, with an IC50 of <1 μM

ChemicalCAS2797619-81-7MW505.27FormulaC20H17Cl2F3N4O4
CAS number
2797619-81-7
Molecular weight
505.27
Formula
C20H17Cl2F3N4O4
Solubility
DMSO : 50 mg/mL (98·96 mM; Need ultrasonic)
InChIKey
QHFDCFXIEHIDKJ-UHFFFAOYSA-N
Catalogue number
GC62240
Brand
GLPBIO
Computed properties PubChem CID 162642722 · TPSA 127 Ų · H-bond donors 5 · H-bond acceptors 9
TPSA
127 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
4
Heavy atoms
33

SMILES CC1=C(C(=NN1)C)C2=CC(=C(C(=C2)Cl)NC3=CC=CC=C3C(=O)NO)Cl.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 162642722), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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