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Chemical structure of LY2228820

GC16835

LY2228820

Also known as 5-[2-tert-butyl-4-(4-fluorophenyl)-1H-imidazol-5-yl]-3-(2,2-dimethylpropyl)imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid

LY2228820 (LY2228820 dimesylate) is a selective, ATP-competitive inhibitor of p38 MAPK α/β with IC50s of 5·3 and 3·2 nM, respectively

ChemicalCAS862507-23-1MW612.74FormulaC24H29FN6·2CH4O3S
CAS number
862507-23-1
Molecular weight
612.74
Formula
C24H29FN6·2CH4O3S
Solubility
≥ 30·65mg/mL in DMSO, ≥ 9·9 mg/mL in EtOH with ultrasonic, ≥ 45 mg/mL in Water with ultrasonic
InChIKey
NARMJPIBAXVUIE-UHFFFAOYSA-N
Catalogue number
GC16835
Brand
GLPBIO
Computed properties PubChem CID 11570805 · TPSA 211 Ų · H-bond donors 4 · H-bond acceptors 11
TPSA
211 Ų
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
5
Heavy atoms
41

SMILES CC(C)(C)CN1C2=C(C=CC(=N2)C3=C(N=C(N3)C(C)(C)C)C4=CC=C(C=C4)F)N=C1N.CS(=O)(=O)O.CS(=O)(=O)O

Computed descriptors from PubChem (CID 11570805), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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