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Exarafenib

CAT: 0931-T63644-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T63644-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2639957-39-2
Target
P38 MAPK, Raf
Related Pathways
MAPK
Purity
0.9984
Bioactivity
Exarafenib (RAF/KIN_2787) is a potent, orally available pan-RAF inhibitor with antitumor activity that acts by inhibiting downstream MAPK pathway signaling. It is used in cancer research.
Smiles
C[C@H](CO)Nc1cc(cc(n1)N1CCOCC1)-c1cc(NC(=O)N2CC[C@@H](CC(F)(F)F)C2)ccc1C
Molecular Formula
C26H34F3N5O3
Molecular Weight
521.58
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Exarafenib

Exarafenib is an orally available inhibitor of class I, II, and III B-Raf (BRAF) protein kinases, with potential antineoplastic activity. Upon administration, exarafenib binds to and inhibits Class I, Class II, or Class III B-Raf mutations. This prevents B-Raf-mediated signal transduction pathways, which may lead to an inhibition of tumor growth in B-Raf mutant cells. B-Raf protein kinases play a key role in the RAF/MEK/ERK signaling pathway, which is often deregulated and mutated in human cancers, and plays a key role in tumor cell proliferation and survival.

CAS Number2639957-39-2
PubChem CID156297592
IUPAC Name(3S)-N-[3-[2-[[(2R)-1-hydroxypropan-2-yl]amino]-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
Molecular FormulaC26H34F3N5O3
Molecular Weight521.6
XLogP4
Topological Polar Surface Area90
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity739
SMILES
CC1=C(C=C(C=C1)NC(=O)N2CC[C@H](C2)CC(F)(F)F)C3=CC(=NC(=C3)N4CCOCC4)N[C@H](C)CO
InChI
InChI=1S/C26H34F3N5O3/c1-17-3-4-21(31-25(36)34-6-5-19(15-34)14-26(27,28)29)13-22(17)20-11-23(30-18(2)16-35)32-24(12-20)33-7-9-37-10-8-33/h3-4,11-13,18-19,35H,5-10,14-16H2,1-2H3,(H,30,32)(H,31,36)/t18-,19+/m1/s1
InChIKey
GZMYLSJUNSCMTD-MOPGFXCFSA-N
Chemical Structure
2D Structure
2D structure of Exarafenib
CAS: 2639957-39-2
CID: 156297592
Formula: C26H34F3N5O3
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass521.26137445
Monoisotopic Mass521.26137445
Topological Polar Surface Area90 Ų
Heavy Atom Count37
Formal Charge0
Complexity739
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA6513-50Exarafenib

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