Catalog Number:
AG00C6FO
Chemical Name:
Glucose-conjugated MGMT inhibitor
CAS Number:
382607-78-5
Molecular Formula:
C24H34BrN5O7S
Molecular Weight:
616.5251
MDL Number:
MFCD22124457
IUPAC Name:
(2R,3R,4S,5S,6R)-2-[8-[2-amino-6-[(4-bromothiophen-2-yl)methoxy]purin-9-yl]octoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI:
InChI=1S/C24H34BrN5O7S/c25-14-9-15(38-12-14)11-36-22-17-21(28-24(26)29-22)30(13-27-17)7-5-3-1-2-4-6-8-35-23-20(34)19(33)18(32)16(10-31)37-23/h9,12-13,16,18-20,23,31-34H,1-8,10-11H2,(H2,26,28,29)/t16-,18-,19+,20-,23-/m1/s1
InChI Key:
WAAZBVOGWRQLMB-PUIBNRJISA-N
SMILES:
OC[C@H]1O[C@@H](OCCCCCCCCn2cnc3c2nc(N)nc3OCc2scc(c2)Br)[C@@H]([C@H]([C@@H]1O)O)O
