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Agerafenib

CAT: 0931-T2070-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T2070-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1188910-76-0
Target
Bcr-Abl, Src, c-Kit, PDGFR, c-RET, Raf
Related Pathways
Apoptosis, Angiogenesis, Tyrosine Kinase/Adaptors, MAPK, Cytoskeletal Signaling
Purity
0.9923
Bioactivity
Agerafenib (CEP32496) is a highly potent inhibitor of BRAF.
Smiles
COc1cc2ncnc(Oc3cccc(NC(=O)Nc4cc(on4)C(C)(C)C(F)(F)F)c3)c2cc1OC
Molecular Formula
C24H22F3N5O5
Molecular Weight
517.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Agerafenib

Agerafenib is under investigation in clinical trial NCT03052569 (Expanded Access to RXDX-105 for Cancers With RET Alterations).

CAS Number1188910-76-0
PubChem CID56846693
IUPAC Name1-[3-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
Molecular FormulaC24H22F3N5O5
Molecular Weight517.5
XLogP5
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity776
SMILES
CC(C)(C1=CC(=NO1)NC(=O)NC2=CC(=CC=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(F)(F)F
InChI
InChI=1S/C24H22F3N5O5/c1-23(2,24(25,26)27)19-11-20(32-37-19)31-22(33)30-13-6-5-7-14(8-13)36-21-15-9-17(34-3)18(35-4)10-16(15)28-12-29-21/h5-12H,1-4H3,(H2,30,31,32,33)
InChIKey
DKNUPRMJNUQNHR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Agerafenib
CAS: 1188910-76-0
CID: 56846693
Formula: C24H22F3N5O5
MW: 517.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight517.5
XLogP35
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass517.15730331
Monoisotopic Mass517.15730331
Topological Polar Surface Area121 Ų
Heavy Atom Count37
Formal Charge0
Complexity776
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
HY-15200-01Agerafenib
HY-15199Agerafenib hydrochloride
C13125-5mgAgerafenib (CEP-32496)

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