BMS-P5

BMS-P5 is an inhibitor of protein arginine deiminase 4 (PAD4, IC50 = 0.098 µM). It is selective for PAD4 over PAD1, -2, and -3 (IC50s = >10 µM for all). BMS-P5 (1 µM) inhibits citrullination of histone H3 and neutrophil extracellular trap (NET) formation induced by RPMI-8226- or MM.1S-conditioned medium in isolated human neutrophils. It delays disease onset and increases survival in a DP42 syngeneic mouse model of multiple myeloma when administered at a dose of 50 mg/kg.Formal Name: [(2S,5R)-5-amino-2-methyl-1-piperidinyl][2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-methanone. CAS Number: 1550371-22-6. Molecular Formula: C27H32N6O2. Formula Weight: 472.6. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 20 mg/ml, DMSO: 5 mg/ml, Ethanol: 30 mg/ml, Ethanol:PBS (pH 7.2) (1:8): 0.11 mg/ml. lambdamax: 219, 308 nm. SMILES: CN1C(C2=CC3=CC=CN=C3N2CC4CC4)=NC5=CC(C(N6[C@H](CC[C@H](C6)N)C)=O)=CC(OC)=C15. InChi Code: InChI=1S/C27H32N6O2/c1-16-6-9-20(28)15-32(16)27(34)19-11-21-24(23(13-19)35-3)31(2)26(30-21)22-12-18-5-4-10-29-25(18)33(22)14-17-7-8-17/h4-5,10-13,16-17,20H,6-9,14-15,28H2,1-3H3/t16-,20+/m0/s1. InChi Key: PXJXCBYHGJEEJH-OXJNMPFZSA-N.