Exarafenib

CAT: 1568-C01780-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:1568-C01780-01Size:5 mg

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CAS Number

2639957-39-2

Synonyms

KIN-002787, KIN-2787, RAF/KIN_2787

SKU

C01780-5mg

Target

Raf

Applications

MAPK

Additionnal Information

Exarafenib (KIN-002787, KIN-2787, RAF/KIN_2787) is an orally-available, selective inhibitor of pan-RAF. Exarafenib is effective in RAF-dependent cancers, including all classes of BRAF alterations. Exarafenib suppresses MAPK signaling in RAF-dependent melanoma cell lines. KIN-2787 exhibits low nanomolar to picomolar potency against RAF1, BRAF, and ARAF with an IC50 of 0.06-3.46 nM with minimal activity towards non-RAF kinases.

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 Number	2639957-39-2
PubChem CID	156297592
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 Formula	C26H34F3N5O3
Molecular Weight	521.6
XLogP	4
Topological Polar Surface Area	90
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	37
Formal Charge	0
Complexity	739

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

CAS: 2639957-39-2

CID: 156297592

Formula: C26H34F3N5O3

MW: 521.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	521.6
XLogP3	4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	521.26137445
Monoisotopic Mass	521.26137445
Topological Polar Surface Area	90 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	739
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA6513-50	Exarafenib

Exarafenib

Chemical Information

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