NVS-PAK1-1, PAK1 inhibitor

Key facts

CAS number

1783816-74-9

Purity

>98%

Form

Lyophilized

form

Molecular weight

479.93 g/mol

Molecular formula

C₂₃H₂₅ClF₃N₅O

Nature

Synthetic

Solubility

Soluble in ethanol to 100 mM

Soluble in DMSO to 100 mM

Biological description

NVS-PAK1-1 is a potent allosteric inhibitor of p21-activated kinase PAK1. It has an IC₅₀ value of 5 nM for dephoshorylated PAK1 and 6 nM for phosphorylated PAK1 in an in vitro assay. It is more than 50-fold more active against PAK1 than against PAK2. NVS-PAK1-1 is highly selective in a panel of 442 kinases. NVS-PAK1-1 potently inhibits PAK1 autophosphorylation in cell-based assays.

Isomeric smiles

O=C(NC(C)C)N4CC[C@H](NC1=NC3CC(F)CCC3N(CC(F)F)C2CCC(CL)CC12)C4

InChi

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

IUPAC Name

(S)-3-(2-Chloro-5-(2,2-difluoroethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino)-N-isopropylpyrrolidine-1-carboxamide