F-Amidine (trifluoroacetate salt) | B2803

F-Amidine (trifluoroacetate salt) is an irreversible inhibitor of protein arginine deiminase (PAD). The in vitro IC₅₀ values are 29.5 µM, 350 µM, and 21.6 µM for PAD1, PAD3 and PAD4, respectively. The IC₅₀ for cytoxicity in HL-60, MCF-7, and HT-29 cancer cell lines is 0.5 μM, 0.5 μM and 1 μM, respectively.

F-Amidine (trifluoroacetate salt) is an irreversible inhibitor of protein arginine deiminase (PAD). The in vitro IC₅₀ values are 29.5 µM, 350 µM, and 21.6 µM for PAD1, PAD3 and PAD4, respectively. The IC₅₀ for cytoxicity in HL-60, MCF-7, and HT-29 cancer cell lines is 0.5 μM, 0.5 μM and 1 μM, respectively.

B2803 | F-Amidine (trifluoroacetate salt) DataSheet

Alternate Name/Synonyms: N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-benzamide, 2,2,2-trifluoroacetate; N-[(2S)-1-amino-5-[(1-amino-2-fluoroethylidene)amino]-1-oxopentan-2-yl]benzamide;2,2,2-trifluoroacetic acid

Appearance: Solution in methanol

Formulation:

CAS Number: 877617-46-4

Structure Available?: true

Peptide sequence:

Salt Form: true

Molecular Formula: C₁₆H₂₀F₄N₄O₄

Molecular Weight: 408.35

Cell-Permeable?: True

Purity: ≥95%

Solubilities: 20 mg/ml in DMSO and DMF in 0, 30 mg/ml in Ethanol

Handling: Do not take internally. Wear gloves and mask when handling the product! Avoid contact by all modes of exposure.

Country of Origin: USA

Tag Line: An irreversible inhibitor of arginine deiminase (PAD).

MDL Number:

PubChem CID: 11589583

SMILES: C1=CC=C(C=C1)C(=O)NC(CCCN=C(CF)N)C(=O)N.C(=O)(C(F)(F)F)O

InChi: InChI=1S/C14H19FN4O2.C2HF3O2/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10;3-2(4,5)1(6)7/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21);(H,6,7)/t11-;/m0./s1

InChi Key: RJYLIKJNBRPBOO-MERQFXBCSA-N