NVS-PAK1-1 is a a specific allosteric PAK1 inhibitor.
For research use only. We do not sell to patients.
Name | NVS-PAK1-1 |
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Iupac Chemical Name | 3(S)-[2-Chloro-5-(2,2-difluoro-ethyl)-8-fluoro-5H-dibenzo[b,e][1,4]diazepin-11-ylamino]-pyrrolidine-1-carboxylic acid isopropylamide |
Synonyms | NVS-PAK1-1; NVSPAK11; NVS PAK1 1; |
Molecular Formula | C23H25ClF3N5O |
Molecular Weight | 479.93 |
Smile | O=C(N1C[C@@H](NC2=NC3=CC(F)=CC=C3N(CC(F)F)C4=CC=C(Cl)C=C42)CC1)NC(C)C |
InChiKey | OINGHOPGNMYCAB-INIZCTEOSA-N |
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 |
CAS Number | 1783816-74-9 |
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Purity | 98% Min. |
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1: Karpov AS, Amiri P, Bellamacina C, Bellance MH, Breitenstein W, Daniel D, Denay R, Fabbro D, Fernandez C, Galuba I, Guerro-Lagasse S, Gutmann S, Hinh L, Jahnke W, Klopp J, Lai A, Lindvall MK, Ma S, Mobitz H, Pecchi S, Rummel G, Shoemaker K, Trappe J, Voliva C, Cowan-Jacob SW, Marzinzik AL. Optimization of a Dibenzodiazepine Hit to a Potent and Selective Allosteric PAK1 Inhibitor. ACS medicinal chemistry letters. 2015;6:776-81.