GSK484 (hydrochloride)

GSK484 is a reversible inhibitor of PAD4 (IC50 = 50 nM) that binds to the low-calcium form of the enzyme. It is selective for PAD4 over PAD1-3. GSK484 blocks the citrullination of PAD4 target proteins in human neutrophils and inhibits the formation of neutrophil extracellular traps in both mouse and human neutrophils. It exhibits favorable pharmacokinetic profiles in mouse and rat. See the Structural Genomics Consortium (SGC) website for more information.Formal Name: [(3S,4R)-3-amino-4-hydroxy-1-piperidinyl][2-[1-(cyclopropylmethyl)-1H-indol-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl]-methanone, monohydrochloride. CAS Number: 1652591-81-5. Molecular Formula: C27H31N5O3 . HCl. Formula Weight: 510.0. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 30 mg/ml, DMSO: 25 mg/ml, Ethanol: 25 mg/ml, Water: 10 mg/ml. lambdamax: 227, 242, 304 nm. SMILES: O[C@@H]1CCN(C(C2=CC(N=C(C3=CC(C=CC=C4)=C4N3CC5CC5)N6C)=C6C(OC)=C2)=O)C[C@@H]1N.Cl. InChi Code: InChI=1S/C27H31N5O3.ClH/c1-30-25-20(11-18(13-24(25)35-2)27(34)31-10-9-23(33)19(28)15-31)29-26(30)22-12-17-5-3-4-6-21(17)32(22)14-16-7-8-16,/h3-6,11-13,16,19,23,33H,7-10,14-15,28H2,1-2H3,1H/t19-,23+,/m0./s1. InChi Key: MULKOGJHUZTANI-ADMBKAPUSA-N.