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Chemical structure of XMU-MP-1

GC11245

XMU-MP-1

Also known as 4-[(2,9-dimethyl-8-oxo-6-thia-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-13-yl)amino]benzenesulfonamide

XMU-MP-1 is a reversible and selective inhibitor of MST1/2 kinase, with IC50s of 71·1±12·9 nM and 38·1±6·9 nM for MST1 and MST2 respectively

ChemicalCAS2061980-01-4MW416.48FormulaC17H16N6O3S2
CAS number
2061980-01-4
Molecular weight
416.48
Formula
C17H16N6O3S2
Solubility
≥ 41·6mg/mL in DMSO with gentle warming
InChIKey
YRDHKIFCGOZTGD-UHFFFAOYSA-N
Catalogue number
GC11245
Brand
GLPBIO
Computed properties PubChem CID 121499143 · XLogP 1.8 · TPSA 158 Ų · H-bond donors 2
XLogP
1.8
TPSA
158 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
28

SMILES CN1C2=C(C(=O)N(C3=CN=C(N=C31)NC4=CC=C(C=C4)S(=O)(=O)N)C)SC=C2

Computed descriptors from PubChem (CID 121499143), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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