Cl-Amidine (trifluoroacetate salt)

• CAT Number: I011717
• CAS Number: 1043444-18-3
• Molecular Formula: C14H19ClN4O2 • CF3CO2H
• Molecular Weight: 424.80
• Purity: ≥95%
• Synonyms: N-[(1S)-1-(aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide 2,2,2-trifluoroacetate
• Target: PAD
• Solubility: Soluble in DMSO
• Storage: Store at -20°C
• IUPAC Name: N-[(2S)-1-amino-5-[(1-amino-2-chloroethylidene)amino]-1-oxopentan-2-yl]benzamide;2,2,2-trifluoroacetic acid
• InChI: InChI=1S/C14H19ClN4O2.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
• InChIKey: WUSNMVYWOLUWDD-MERQFXBCSA-N
• SMILES: C1=CC=C(C=C1)C(=O)N[C@@H](CCCN=C(CCl)N)C(=O)N.C(=O)(C(F)(F)F)O

Cl-Amidine (trifluoroacetate salt)（Cat No.:I011717）is a potent and selective inhibitor of protein arginine deiminases (PADs), enzymes that convert arginine residues in proteins to citrulline, a process involved in various biological functions and disease mechanisms. By inhibiting PADs, Cl-Amidine disrupts citrullination, which can influence gene expression, immune response, and the progression of autoimmune diseases and cancers. This compound has shown promise in preclinical studies for its ability to modulate protein interactions and cellular signaling pathways. Cl-Amidine’s unique mechanism provides valuable insights into therapeutic strategies targeting PADs in various pathological conditions.