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GNE-9815

CAT: 0804-HY-142160-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-142160-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
GNE-9815 (compound 7) is a highly selective, pan-RAF inhibitor with good oral bioavailability. GNE-9815 exhibits Ki values of 0.062 and 0.19 nM for CRAF and BRAF, respectively. GNE-9815 combines with MEK inhibitor Cobimetinib shows synergistic modulation of MAPK pathway. GNE-9815 can be used in studies of KRAS mutant cancers[1].
CAS Number
2729996-45-4
UNSPSC
12352005
Target
Raf
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/gne-9815.html
Purity
98.94
Solubility
DMSO : 50 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
N#CC(C)(C)C1=CC(C(NC2=C(F)C=C(C)C(C3=CN=C4C(C=NN(C)C4=O)=C3)=C2)=O)=CC=C1
Molecular Formula
C26H22FN5O2
Molecular Weight
455.48
References & Citations
[1]Huestis MP, et al. Targeting KRAS Mutant Cancers via Combination Treatment: Discovery of a Pyridopyridazinone pan-RAF Kinase Inhibitor. ACS Med Chem Lett. 2021 Apr 21;12 (5) :791-797.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
B-Raf; C-Raf

Chemical Information

3-(2-Cyanopropan-2-yl)-N-(2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl)benzamide
CAS Number2729996-45-4
PubChem CID155920128
IUPAC Name3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxopyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide
Molecular FormulaC26H22FN5O2
Molecular Weight455.5
XLogP3.7
Topological Polar Surface Area98.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity866
SMILES
CC1=CC(=C(C=C1C2=CN=C3C(=C2)C=NN(C3=O)C)NC(=O)C4=CC(=CC=C4)C(C)(C)C#N)F
InChI
InChI=1S/C26H22FN5O2/c1-15-8-21(27)22(31-24(33)16-6-5-7-19(10-16)26(2,3)14-28)11-20(15)17-9-18-13-30-32(4)25(34)23(18)29-12-17/h5-13H,1-4H3,(H,31,33)
InChIKey
SXCTZLXYGLXXRY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2-Cyanopropan-2-yl)-N-(2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl)benzamide
CAS: 2729996-45-4
CID: 155920128
Formula: C26H22FN5O2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass455.17575312
Monoisotopic Mass455.17575312
Topological Polar Surface Area98.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity866
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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