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Chemical structure of F-Amidine (trifluoroacetate salt)

GC43651

F-Amidine (trifluoroacetate salt)

Also known as N-[(2S)-1-amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]benzamide;2,2,2-trifluoroacetic acid

F-amidine is an inhibitor of protein arginine deiminases (PADs) that is selective for PAD1 and PAD4 (IC50s = 29·5, 350, and 21·6 μM for PAD1, PAD3, and PAD4 in vitro, respectively)

ChemicalCAS877617-46-4MW408.4FormulaC14H19FN4O2•CF3COOH
CAS number
877617-46-4
Molecular weight
408.4
Formula
C14H19FN4O2•CF3COOH
Solubility
DMF: 20 mg/ml,DMSO: 20 mg/ml,Ethanol: 30 mg/ml,PBS (pH 7·2): 10 mg/ml
InChIKey
RJYLIKJNBRPBOO-MERQFXBCSA-N
Catalogue number
GC43651
Brand
GLPBIO
Computed properties PubChem CID 11589583 · TPSA 148 Ų · H-bond donors 4 · H-bond acceptors 9
TPSA
148 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
8
Heavy atoms
28

SMILES C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O

Computed descriptors from PubChem (CID 11589583), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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