Cl-Amidine (hydrochloride)

Cl-Amidine is an irreversible inhibitor of protein arginine deiminases (PADs, IC50s = 0.8, 6.2, and 5.9 µM for PAD1, PAD3, and PAD4, respectively). It is cytotoxic to HL-60, MCF-7, and HT-29 cancer cells (IC50s = 0.25, 0.05, and 1 µM, respectively). Cl-amidine (50 mg/kg) reduces ex vivo extracellular neutrophil extracellular trap (NET) formation and increases survival in a mouse model of sepsis induced by cecal ligation and puncture (CLP). It also decreases the citrulline content in serum and joints and reduces the development of IgG autoantibodies in a mouse model of collagen-induced arthritis in a dose-dependent manner.Formal Name: N-[(1S)-1-(aminocarbonyl)-4-[(2-chloro-1-iminoethyl)amino]butyl]-benzamide, monohydrochloride. CAS Number: 1373232-26-8. Molecular Formula: C14H19ClN4O2 . HCl. Formula Weight: 347.2. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 14 mg/ml, DMSO: 50 mg/ml, Ethanol: 20 mg/ml, PBS (pH 7.2): 3 mg/ml. SMILES: O=C(N[C@@H](CCCNC(CCl)=N)C(N)=O)C1=CC=CC=C1.Cl. InChi Code: InChI=1S/C14H19ClN4O2.ClH/c15-9-12(16)18-8-4-7-11(13(17)20)19-14(21)10-5-2-1-3-6-10,/h1-3,5-6,11H,4,7-9H2,(H2,16,18)(H2,17,20)(H,19,21),1H/t11-,/m0./s1. InChi Key: OPFMEGSAOZAJIV-MERQFXBCSA-N. License: Sold under license from the University of South Carolina under U.S. Patent No. 7,964,636.