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Chemical structure of MK2 Inhibitor III

GC44211

MK2 Inhibitor III

Also known as 2-(2-quinolin-3-yl-4-pyridinyl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one;hydrate

MK2 Inhibitor III (compound 16) is an orally active, selective, and ATP-competitive MAPKAP-K2 (MK-2) inhibitor with an IC50 of 0·85 nM

ChemicalCAS1186648-22-5MW358.4FormulaC21H16N4O•H2O
CAS number
1186648-22-5
Molecular weight
358.4
Formula
C21H16N4O•H2O
Solubility
DMF： 1·4 mg/ml,DMSO： 5 mg/ml,DMSO：PBS(pH7·2) (1：1)： 0·5 mg/ml
InChIKey
NIKCVKMHGQQSRN-UHFFFAOYSA-N
Catalogue number
GC44211
Brand
GLPBIO
Computed properties PubChem CID 25163932 · TPSA 71.7 Ų · H-bond donors 3 · H-bond acceptors 4
TPSA
71.7 Ų
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
27

SMILES C1CNC(=O)C2=C1NC(=C2)C3=CC(=NC=C3)C4=CC5=CC=CC=C5N=C4.O

Computed descriptors from PubChem (CID 25163932), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Documents
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