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CCT196969

CAT: 0013-GTR19163560-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163560-02Size:500 mg
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Description
CCT196969 is a potent, orally bioavailable pan-RAF inhibitor with IC50 of 100, 40 and 12 nM for B-Raf, B-Raf V600E and C-Raf, respectively; also potently inhibits SRC (IC50=26 nM) and LCK (IC50=14 nM), does not inhibit MEK1 or the MEK1 kinase COT; inhibits cell proliferation of BRAF-selective-inhibitor-resistant cells with mean GI50 of 0.4 uM, NRAS mutant melanoma cells (GI50=0.6 uM) ; induces caspase 3 and PARP cleavage, induces apoptosis, inhibits the growth of PLX4720-resistant A375 xenografts (A375/R) in mice, without causing any body weight loss.
CAS Number
1163719-56-9
Product Name Alternative
CCT-196969 | CCT 196969
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 32 mg/mL
Smiles
FC1=CC (OC2=C3C (NC (C=N3) =O) =NC=C2) =CC=C1NC (NC4=CC (C (C) (C) C) =NN4C5=CC=CC=C5) =O
Molecular Formula
C27H24FN7O3
Molecular Weight
513.5229
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Urea, N-[4-[ (3,4-dihydro-3-oxopyrido[2,3-b]pyrazin-8-yl) oxy]-2-fluorophenyl]-N'-[3- (1,1-dimethylethyl) -1-phenyl-1H-pyrazol-5-yl]-

Chemical Information

Cct196969
CAS Number1163719-56-9
PubChem CID42628843
IUPAC Name1-(3-tert-butyl-1-phenylpyrazol-5-yl)-3-[2-fluoro-4-[(3-oxo-4H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
Molecular FormulaC27H24FN7O3
Molecular Weight513.5
XLogP4.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity877
SMILES
CC(C)(C)C1=NN(C(=C1)NC(=O)NC2=C(C=C(C=C2)OC3=C4C(=NC=C3)NC(=O)C=N4)F)C5=CC=CC=C5
InChI
InChI=1S/C27H24FN7O3/c1-27(2,3)21-14-22(35(34-21)16-7-5-4-6-8-16)32-26(37)31-19-10-9-17(13-18(19)28)38-20-11-12-29-25-24(20)30-15-23(36)33-25/h4-15H,1-3H3,(H,29,33,36)(H2,31,32,37)
InChIKey
KYYKGSDLXXKQCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cct196969
CAS: 1163719-56-9
CID: 42628843
Formula: C27H24FN7O3
MW: 513.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight513.5
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass513.19246582
Monoisotopic Mass513.19246582
Topological Polar Surface Area123 Ų
Heavy Atom Count38
Formal Charge0
Complexity877
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
BA6529-25CCT196969
A22372-50CCT196969 50mg
A22372-5CCT196969 5mg
A22372-100CCT196969 100mg

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