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Chemical structure of Tofogliflozin hydrate (CSG-452 hydrate)

GC31377

Tofogliflozin hydrate (CSG-452 hydrate)

Also known as (3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol;hydrate

Tofogliflozin hydrate (CSG-452 hydrate) is a potent and highly specific sodium/glucose cotransporter 2 (SGLT2) inhibitor with an IC50 of 2·9 nM and Ki values of 2·9 nM, 14·9 nM, and 6·4 nM for human, rat, and mouse SGLT2

ChemicalCAS1201913-82-7MW404.45FormulaC22H28O7
CAS number
1201913-82-7
Molecular weight
404.45
Formula
C22H28O7
Solubility
DMSO ： ≥ 100 mg/mL (247·25 mM);Water ： 0·33 mg/mL (0·82 mM)
InChIKey
ZXOCGDDVNPDRIW-NHFZGCSJSA-N
Catalogue number
GC31377
Brand
GLPBIO
Computed properties PubChem CID 46908928 · TPSA 100 Ų · H-bond donors 5 · H-bond acceptors 7
TPSA
100 Ų
H-bond donors
5
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
29

SMILES CCC1=CC=C(C=C1)CC2=CC3=C(CO[C@@]34[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C2.O

Computed descriptors from PubChem (CID 46908928), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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