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Chemical structure of Thiamet G

GC12736

Thiamet G

Also known as (3aR,5R,6S,7R,7aR)-2-ethylimino-5-(hydroxymethyl)-1,3a,5,6,7,7a-hexahydropyrano[3,2-d][1,3]thiazole-6,7-diol

Thiamet G, a potent inhibitor of O-GlcNAcase (Ki =21 nM) was used to increase O-GlcNAcylation levels

ChemicalCAS1009816-48-1MW248.3FormulaC9H16N2O4S
CAS number
1009816-48-1
Molecular weight
248.3
Formula
C9H16N2O4S
Solubility
≥ 12·4mg/mL in DMSO, ≥ 100mg/mL in Water
InChIKey
PPAIMZHKIXDJRN-FMDGEEDCSA-N
Catalogue number
GC12736
Brand
GLPBIO
Computed properties PubChem CID 135566354 · XLogP -0.7 · TPSA 120 Ų · H-bond donors 4
XLogP
-0.7
TPSA
120 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
2
Heavy atoms
16

SMILES CCN=C1N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O

Computed descriptors from PubChem (CID 135566354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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