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Chemical structure of SB 747651A - SB 747651 tetrahydrochloride

GB40359

SB 747651A - SB 747651 tetrahydrochloride

Also known as 4-[1-ethyl-7-[(piperidin-4-ylamino)methyl]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine;tetrahydrochloride

Potent MSK inhibitor; In vitro, SB-747651A inhibits MSK1 with an IC50 value of 11 nM; In cells, SB-747651A fully inhibited MSK activity at 5-10 μM·SB-747651A exhibited improved selectivity over H89 and Ro 31-8220 and therefore represents a useful tool to study MSK function in cells

ChemicalCAS2108968-31-4MW488.24FormulaC16H22N8O·4HCl
CAS number
2108968-31-4
Molecular weight
488.24
Formula
C16H22N8O·4HCl
InChIKey
JBYSIGKTZDYOGF-UHFFFAOYSA-N
Catalogue number
GB40359
Brand
GLPBIO
Computed properties PubChem CID 91826488 · TPSA 120 Ų · H-bond donors 7 · H-bond acceptors 8
TPSA
120 Ų
H-bond donors
7
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
29

SMILES CCN1C2=C(C=NC=C2CNC3CCNCC3)N=C1C4=NON=C4N.Cl.Cl.Cl.Cl

Computed descriptors from PubChem (CID 91826488), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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