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Chemical structure of 11β-HSD1-IN-11

GC71163

11β-HSD1-IN-11

Also known as 2-(benzenesulfonyl)-1-[4-(trifluoromethyl)phenyl]ethanone

11β-HSD1-IN-11 (Compound c1a) is a competitive 11β-HSD1 inhibitor with IC50s of 0·34 μM and 0·13 μM against rat and human 11β-HSD1, respectively

ChemicalCAS859721-81-6MW328.31FormulaC15H11F3O3S
CAS number
859721-81-6
Molecular weight
328.31
Formula
C15H11F3O3S
InChIKey
PDXUGNITDTZZFN-UHFFFAOYSA-N
Catalogue number
GC71163
Brand
GLPBIO
Computed properties PubChem CID 11232699 · XLogP 3.5 · TPSA 59.6 Ų · H-bond donors 0
XLogP
3.5
TPSA
59.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
22

SMILES C1=CC=C(C=C1)S(=O)(=O)CC(=O)C2=CC=C(C=C2)C(F)(F)F

Computed descriptors from PubChem (CID 11232699), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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