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Chemical structure of MAP855

GC64904

MAP855

Also known as 1-[(3S,4S)-4-[8-(2-chloro-4-pyrimidin-2-yloxyphenyl)-7-fluoro-2-methylimidazo[4,5-c]quinolin-1-yl]-3-fluoropiperidin-1-yl]-2-hydroxyethanone

MAP855 is a highly potent, selective, ATP-competitive and orally active MEK1/2 kinase inhibitor (MEK1 ERK2 cascade IC50=3 nM, pERK EC50=5 nM)· MAP855 shows equipotent inhibition of wild-type and mutant MEK1/2

ChemicalCAS1660107-77-6MW564.97FormulaC28H23ClF2N6O3
CAS number
1660107-77-6
Molecular weight
564.97
Formula
C28H23ClF2N6O3
Solubility
DMSO ： 100 mg/mL (177·00 mM; Need ultrasonic)
InChIKey
WZZBNLYBHUDSHF-DHLKQENFSA-N
Catalogue number
GC64904
Brand
GLPBIO
Computed properties PubChem CID 90647159 · XLogP 4 · TPSA 106 Ų · H-bond donors 1
XLogP
4
TPSA
106 Ų
H-bond donors
1
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
40

SMILES CC1=NC2=C(N1[C@H]3CCN(C[C@@H]3F)C(=O)CO)C4=CC(=C(C=C4N=C2)F)C5=C(C=C(C=C5)OC6=NC=CC=N6)Cl

Computed descriptors from PubChem (CID 90647159), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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