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Chemical structure of Cymal-6

GC75274

Cymal-6

Also known as (2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-(6-cyclohexylhexoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

Cymal-6 (Cyclohexyl-hexyl-β-D-maltoside) is a potent TEM-1 beta-lactamase inhibitor with an Ki value of 40·05 ?M

ChemicalCAS228579-27-9MW508.6FormulaC24H44O11
CAS number
228579-27-9
Molecular weight
508.6
Formula
C24H44O11
Solubility
DMSO： 250 mg/mL (491·55 mM; Need ultrasonic)
InChIKey
WUCWJXGMSXTDAV-QKMCSOCLSA-N
Catalogue number
GC75274
Brand
GLPBIO
Computed properties PubChem CID 447688 · XLogP 0.9 · TPSA 179 Ų · H-bond donors 7
XLogP
0.9
TPSA
179 Ų
H-bond donors
7
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
35

SMILES C1CCC(CC1)CCCCCCO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 447688), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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