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GW779439X

CAT: 0804-HY-103645-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-103645-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GW779439X is a pyrazolopyridazine identified in an inhibitor of the S. aureus PASTA kinase Stk1. GW779439X potentiates the activity of β-lactam antibiotics against various MRSA and MSSA isolates, some even crossing the breakpoint from resistant to sensitive. GW779439X is an AURKA inhibitor and induces apoptosis by the caspases 3/7 pathway[1][2]. MRSA:methicillin-resistant S. aureus; MSSA: methicillin-sensitive S. aureus
CAS Number
551919-98-3
UNSPSC
12352005
Target
Apoptosis; Aurora Kinase; Bacterial
Type
Reference compound
Related Pathways
Anti-infection; Apoptosis; Cell Cycle/DNA Damage; Epigenetics
Applications
COVID-19-anti-virus
Field of Research
Cancer; Infection
Assay Protocol
https://www.medchemexpress.com/gw779439x.html
Purity
99.85
Solubility
DMSO : 31.25 mg/mL (ultrasonic)
Smiles
FC(C1=CC(NC2=NC=CC(C3=C4C=CC=NN4N=C3)=N2)=CC=C1N5CCN(C)CC5)(F)F
Molecular Formula
C22H21F3N8
Molecular Weight
454.45
References & Citations
[1]Mesquita FP, et al. Kinase inhibitor screening reveals aurora-a kinase is a potential therapeutic and prognostic biomarker of gastric cancer [published online ahead of print, 2021 Jun 23]. J Cell Biochem. 2021;10.1002/jcb.30015.|[2]Schaenzer AJ, et al. GW779439X and Its Pyrazolopyridazine Derivatives Inhibit the Serine/Threonine Kinase Stk1 and Act As Antibiotic Adjuvants against β-Lactam-Resistant Staphylococcus aureus. ACS Infect Dis. 2018;4 (10) :1508-1518.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Aurora A

Chemical Information

GW779439X
CAS Number551919-98-3
PubChem CID10173796
IUPAC NameN-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-ylpyrimidin-2-amine
Molecular FormulaC22H21F3N8
Molecular Weight454.5
XLogP3.3
Topological Polar Surface Area74.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity644
SMILES
CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NC=CC(=N3)C4=C5C=CC=NN5N=C4)C(F)(F)F
InChI
InChI=1S/C22H21F3N8/c1-31-9-11-32(12-10-31)20-5-4-15(13-17(20)22(23,24)25)29-21-26-8-6-18(30-21)16-14-28-33-19(16)3-2-7-27-33/h2-8,13-14H,9-12H2,1H3,(H,26,29,30)
InChIKey
ZOTNSCLLJKXGSD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of GW779439X
CAS: 551919-98-3
CID: 10173796
Formula: C22H21F3N8
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass454.18412719
Monoisotopic Mass454.18412719
Topological Polar Surface Area74.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity644
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19167058-01GW779439X
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A22083-10GW779439X 10mg
A22083-100GW779439X 100mg
A22083-5GW779439X 5mg
A22083-25GW779439X 25mg
A22083-2GW779439X 2mg

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