AZ13705339hemihydrate
PRODUCTS SPECIFICATIONS
DESCRIPTION
Overview
| MDL | - |
|---|---|
| Molecular Weight | 638.77 |
| Molecular Formula | C33H36FN7O3S.1/2H2O |
| SMILES | N#CC1=CC=CC=C1CN(C2=NC(NC3=CC=C(N4CCN(C)CC4)C(S(=O)(CC)=O)=C3)=NC=C2F)C5=CC(CO)=CC=C5C.[1/2].O |
Summary
AZ13705339 hemihydrate is a highly potent and selective PAK1 inhibitor with IC 50 s of 0.33 nM and 59 nM for PAK1 and pPAK1, respectively. AZ13705339 hemihydrate has binding affinities to PAK1 and PAK2 , with K d s of 0.28 nM and 0.32 nM, respectively. AZ13705339 hemihydrate can be used in the research of cancers [1] .
IC50 & Target
|
PAK2 0.32 nM (Kd) |
PAK1 0.28 nM (Kd) |
PAK1 0.33 nM (IC 50 ) |
pPAK1 59 nM (IC 50 ) |
In Vitro
In Vivo
AZ13705339 hemihydrate (100 mg/kg, P.O.) has moderate clearance and oral C max of 7.7 μM in rats [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 100 mg/mL ( 156.55 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 1.5655 mL | 7.8275 mL | 15.6551 mL |
| 5 mM | 0.3131 mL | 1.5655 mL | 3.1310 mL |
| 10 mM | 0.1566 mL | 0.7828 mL | 1.5655 mL |
References
- [1] McCoull W, et al. Optimization of Highly Kinase Selective Bis-anilino Pyrimidine PAK1 Inhibitors. ACS Med Chem Lett. 2016;7(12):1118-1123. Published 2016 Sep 14.
- [2] Martin F M de Rooij, et al. A loss-of-adhesion CRISPR-Cas9 screening platform to identify cell adhesion-regulatory proteins and signaling pathways. Nat Commun. 2022 Apr 19;13(1):2136.
- [3] Daniela J Carroll, et al. Siglec-8 Signals Through a Non-Canonical Pathway to Cause Human Eosinophil Death In Vitro. Front Immunol. 2021 Oct 11;12:737988.