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Agerafenib

CAT: 0013-GTR19172439-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172439-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Agerafenib (CEP32496) is a potent and selective BRAF kinase inhibitor. It is used in biochemical and cellular research to study oncogenic BRAF signaling and has demonstrated activity in preclinical in vitro and in vivo models of BRAF-mutant cancers.
CAS Number
1188910-76-0
Product Name Alternative
CRET, CEP32496, CEP-32496, CEP 32496, c-Kit, cKit, Abl1, Agerafenib, BcrAbl, Lck, Inhibitor, inhibit, PDGFRβ, RXDX 105, RXDX105, RXDX-105, RET, Raf, Raf kinases
Field of Research
Cardiovascular Research, Cell Biology, Signal Transduction
Purity
95.78% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.87 mM) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble) ; DMSO:45 mg/mL (86.96 mM)
Smiles
COc1cc2ncnc (Oc3cccc (NC (=O) Nc4cc (on4) C (C) (C) C (F) (F) F) c3) c2cc1OC
Molecular Formula
C24H22F3N5O5
Molecular Weight
517.46
Storage Conditions
-20°C
Notes
For research use only.

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
T14928-01Agerafenib hydrochloride
C13125-5mgAgerafenib (CEP-32496)

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