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CCT239065

CAT: 0013-GTR19209330-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209330-02Size:50 mg
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Description
CCT239065 is a potent and selective pyridopyrazinone-based inhibitor targeting both V600E mutant BRAF and LCK kinases with nanomolar activity. It is a valuable chemical probe for oncology research, enabling the study of downstream signaling pathways in both cellular and animal models of cancer.
CAS Number
1163719-51-4
Field of Research
Cell Biology, Molecular Biology, Signal Transduction
Smiles
N (C (NC1=C (SC) C=C (OC2=C3C (=NC=C2) NC (=O) C=N3) C=C1) =O) C=4N (N=C (C (C) (C) C) C4) C5=CC=C (C) C=C5
Molecular Formula
C29H29N7O3S
Molecular Weight
555.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cct239065
CAS Number1163719-51-4
PubChem CID44131523
IUPAC Name1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-methylsulfanyl-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
Molecular FormulaC29H29N7O3S
Molecular Weight555.7
XLogP4.9
Topological Polar Surface Area148
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity922
SMILES
CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=C(C=C(C=C3)OC4=C5C(=NC=C4)NC(=O)C=N5)SC
InChI
InChI=1S/C29H29N7O3S/c1-17-6-8-18(9-7-17)36-24(15-23(35-36)29(2,3)4)33-28(38)32-20-11-10-19(14-22(20)40-5)39-21-12-13-30-27-26(21)31-16-25(37)34-27/h6-16H,1-5H3,(H,30,34,37)(H2,32,33,38)
InChIKey
YTDHTKGXXMJUSH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cct239065
CAS: 1163719-51-4
CID: 44131523
Formula: C29H29N7O3S
MW: 555.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight555.7
XLogP34.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass555.20525899
Monoisotopic Mass555.20525899
Topological Polar Surface Area148 Ų
Heavy Atom Count40
Formal Charge0
Complexity922
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

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CatalogName
T71353-01CCT239065
NWB71951-01Cct239065-d7
A11147-100CCT239065 100mg
A11147-50CCT239065 50mg
A11147-25CCT239065 25mg
A11147-10CCT239065 10mg
A11147-5CCT239065 5mg

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