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Chemical structure of Galectin-8N-IN-1

GC71123

Galectin-8N-IN-1

Also known as 2-[[(2R,3R,4S,5S,6R)-2-(3,4-dichlorophenyl)sulfanyl-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxymethyl]-3-methylbenzimidazole-5-carboxylic acid

Galectin-8N-IN-1 (compound 19a) is a potent and selective galectin-8N inhibitor with a Kd value of 1·8 μM

ChemicalCAS2667628-25-1MW529.39FormulaC22H22Cl2N2O7S
CAS number
2667628-25-1
Molecular weight
529.39
Formula
C22H22Cl2N2O7S
Solubility
DMSO ： ≥ 50 mg/mL (94·45 mM)
InChIKey
FKJDXCHMRVVEIN-DIINWTLSSA-N
Catalogue number
GC71123
Brand
GLPBIO
Computed properties PubChem CID 164610940 · XLogP 2.7 · TPSA 160 Ų · H-bond donors 4
XLogP
2.7
TPSA
160 Ų
H-bond donors
4
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
34

SMILES CN1C2=C(C=CC(=C2)C(=O)O)N=C1CO[C@H]3[C@H]([C@H](O[C@@H]([C@@H]3O)SC4=CC(=C(C=C4)Cl)Cl)CO)O

Computed descriptors from PubChem (CID 164610940), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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