IUPAC: (3aS,10bS)-3a-benzyl-2-phenyl-5-(2-(phenylsulfonyl)ethyl)-3a,5,6,10b-tetrahydro-4H-benzo[c]oxazolo[5,4-e]azepin-4-one
MW: 536.65
cLogP: 6.38
SMILES: O=C1[C@]2(CC3=CC=CC=C3)[C@@H](OC(C4=CC=CC=C4)=N2)C5=C(C=CC=C5)CN1CCS(=O)(C6=CC=CC=C6)=O
CAS: N/A
IC50: 1.28 µM (Myc reporter), 2.15 µM (P493-6 viable cells, Myc on), >50 µM (P493-6 viable cells, Myc off), >50 µM (PC12, Max off)
Citation: Cell Chem. Biol., 2019, in press.
Commercial Sources: N/A. Please contact the Koehler Lab directly for compound requests.
KI-MS2-001. Parent Molecule for the development of KI-MS2-008
IUPAC: (3aS,10bS)-3a-benzyl-2-(4-(3-hydroxypropoxy)phenyl)-5-(2-(phenylsulfonyl)ethyl)-3a,5,6,10b-tetrahydro-4H-benzo[c]oxazolo[5,4-e]azepin-4-one
MW: 610.73
cLogP: 5.15
SMILES: O=C1[C@]2(CC3=CC=CC=C3)[C@@H](OC(C4=CC=C(OCCCO)C=C4)=N2)C5=C(C=CC=C5)CN1CCS(=O)(C6=CC=CC=C6)=O
CAS: N/A
IC50: 1.98 µM (Myc reporter), 7.36 µM (P493-6 viable cells, Myc on), >50 µM (P493-6 viable cells, Myc off), >50 µM (PC12, Max off)
Citation: Cell Chem. Biol. 2019, 26, 1-13.
Commercial Sources: N/A