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Chemical structure of Molibresib besylate

GC34675

Molibresib besylate

Also known as benzenesulfonic acid;2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide

Molibresib besylate (GSK 525762C; I-BET 762 besylate) is a BET bromodomain inhibitor with IC50 of 32·5-42·5 nM

ChemicalCAS1895049-20-3MW582.07FormulaC28H28ClN5O5S
CAS number
1895049-20-3
Molecular weight
582.07
Formula
C28H28ClN5O5S
Solubility
DMSO ： 25 mg/mL (42·95 mM)
InChIKey
UQGMFOYDYUZADE-FERBBOLQSA-N
Catalogue number
GC34675
Brand
GLPBIO
Computed properties PubChem CID 133082230 · TPSA 144 Ų · H-bond donors 2 · H-bond acceptors 8
TPSA
144 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
6
Heavy atoms
40

SMILES CCNC(=O)C[C@H]1C2=NN=C(N2C3=C(C=C(C=C3)OC)C(=N1)C4=CC=C(C=C4)Cl)C.C1=CC=C(C=C1)S(=O)(=O)O

Computed descriptors from PubChem (CID 133082230), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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