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Chemical structure of Glucose-conjugated MGMT inhibitor

GC36153

Glucose-conjugated MGMT inhibitor

Also known as (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

Glucose-conjugated MGMT inhibitor is a potent O6-methylguanine-DNAmethyl-transferase (MGMT) inhibitor, with IC50s of 32 nM in vitro (cell extracts) and 10 nM in HeLa S3 cells

ChemicalCAS382607-78-5MW616.53FormulaC24H34BrN5O7S
CAS number
382607-78-5
Molecular weight
616.53
Formula
C24H34BrN5O7S
Solubility
DMSO: 100 mg/mL (162·20 mM)
InChIKey
WAAZBVOGWRQLMB-PUIBNRJISA-N
Catalogue number
GC36153
Brand
GLPBIO
Computed properties PubChem CID 10438805 · XLogP 2.1 · TPSA 206 Ų · H-bond donors 5
XLogP
2.1
TPSA
206 Ų
H-bond donors
5
H-bond acceptors
12
Rotatable bonds
14
Heavy atoms
38

SMILES C1=C(SC=C1Br)COC2=NC(=NC3=C2N=CN3CCCCCCCCO[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)N

Computed descriptors from PubChem (CID 10438805), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

Lead time
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Pricing
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Documents
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Universities, hospitals and biotech companies across Israel. Research use only — not for diagnostic or therapeutic use.