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Chemical structure of MRT199665

GC60256

MRT199665

Also known as 7-[(1S)-4-hydroxy-2,3-dihydro-1H-inden-1-yl]-5,5-dimethyl-2-[3-(pyrrolidin-1-ylmethyl)anilino]pyrrolo[2,3-d]pyrimidin-6-one

MRT199665 is a potent and ATP-competitive, selective MARK/SIK/AMPK inhibitor with IC50s of 2/2/3/2 nM, 10/10 nM, and 110/12/43 nM for MARK1/MARK2/MARK3/MARK14, AMPKα1/AMPKα2, and SIK1/SIK2/SIK3, respectively· MRT199665 causes apoptosis in MEF2C-activated human acute myeloid leukemias (AML) cells· MRT199665 inhibits the phosphorylation of SIK substrate CRTC3 at S370

ChemicalCAS1456858-57-3MW469.58FormulaC28H31N5O2
CAS number
1456858-57-3
Molecular weight
469.58
Formula
C28H31N5O2
InChIKey
OFIFLUFVENTCNZ-QHCPKHFHSA-N
Catalogue number
GC60256
Brand
GLPBIO
Computed properties PubChem CID 71725150 · XLogP 4.3 · TPSA 81.6 Ų · H-bond donors 2
XLogP
4.3
TPSA
81.6 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
35

SMILES CC1(C2=CN=C(N=C2N(C1=O)[C@H]3CCC4=C3C=CC=C4O)NC5=CC=CC(=C5)CN6CCCC6)C

Computed descriptors from PubChem (CID 71725150), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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