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NVS-PAK1-1

SIGMA/SML1867 - ≥98% (HPLC)

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

CAS Number: 1783816-74-9
Empirical Formula (Hill Notation): C23H25ClF3N5O
Molecular Weight: 479.93
Linear Formula: C23H25ClF3N5O
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-SML1867-5MG 5 mg
 $163.00
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45-SML1867-25MG 25 mg
 $652.00
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assay ≥98% (HPLC)
color white to beige
form powder
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
Quality Level 100 
SMILES string 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
solubility DMSO: 30 mg/mL, clear
storage temp. 2-8°C
Biochem/physiol Actions: NVS-PAK1-1 is a potent allosteric inhibitor of p21-activated kinase PAK1, a serine-threonine kinase that is upregulated in many cancers.
Biochem/physiol Actions: NVS-PAK1-1 is a potent allosteric inhibitor of p21-activated kinase PAK1, a serine-threonine kinase that is upregulated in many cancers. NVS-PAK1-1 has an IC50 value of 5 nM for dephoshorylated PAK1 and 6 nM for phosphorylated PAK1 in an in vitro dephosphorylation assay. NVS-PAK1-1 showed good selectivity against 442 other kinases including PAK2. NVS-PAK1-1 has generally good physicochemical properties, but was metabolized by rat liver microsomes, so may not be useful for in vivo work. For full characterization details, please visit the NVS-PAK1-1 probe summary  on the Structural Genomics Consortium (SGC) website.

To learn about other SGC chemical probes for protein targets, visit sigma.com/sgc 
Features and Benefits: NVS-PAK1-1 is a chemical probe available through a partnership with the Structural Genomics Consortium (SGC). To learn more and view other SGC chemical probes, visit sigma.com/SGC 
Features and Benefits: This compound is a featured product for Kinase Phosphatase Biology research. Click here  to discover more featured Kinase Phosphatase Biology products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm 
Packaging: 5, 25 mg in glass bottle
RIDADR NONH for all modes of transport
WGK Germany WGK 3
Flash Point(F) Not applicable
Flash Point(C) Not applicable
Purity ≥98% (HPLC)
Storage Temp. 2-8°C
UNSPSC 41106609

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