NVS-PAK1-1

NVS-PAK1-1 is an allosteric inhibitor of p21-activated kinase 1 (PAK1), a non-receptor serine/threonine kinase involved in tumorigenesis (Kd = 7 nM). It has an IC50 value of 5.2 nM in a PAK1 dephosphorylation assay. NVS-PAK1-1 is selective for PAK1 over PAK2 (Kd = 400 nM) and over a panel of 442 kinases, where it did not inhibit any other kinases by greater than 80%. It inhibits phosphorylation of MEK Ser289 when used at concentrations ranging from 6 to 20 µM but does not inhibit proliferation of Su86.86 cells at concentrations lower than 2 µM. See the Structural Genomics Consortium (SGC) website for more information.Formal Name: (3S)-3-[[2-chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-yl]amino]-N-(1-methylethyl)-1-pyrrolidinecarboxamide. CAS Number: 1783816-74-9. Molecular Formula: C23H25ClF3N5O. Formula Weight: 479.9. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 50 mg/ml, DMF:PBS (pH 7.2) (1:1): 0.5 mg/ml, DMSO: 50 mg/ml, Ethanol: 20 mg/ml. lambdamax: 264 nm. SMILES: FC(F)CN1C2=C(C=C(Cl)C=C2)C(N[C@H]3CCN(C(NC(C)C)=O)C3)=NC4=C1C=CC(F)=C4. InChi Code: InChI=1S/C23H25ClF3N5O/c1-13(2)28-23(33)31-8-7-16(11-31)29-22-17-9-14(24)3-5-19(17)32(12-21(26)27)20-6-4-15(25)10-18(20)30-22/h3-6,9-10,13,16,21H,7-8,11-12H2,1-2H3,(H,28,33)(H,29,30)/t16-/m0/s1. InChi Key: OINGHOPGNMYCAB-INIZCTEOSA-N.