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Chemical structure of HSD-016

GC64659

HSD-016

Also known as (2R)-1,1,1-trifluoro-2-[3-[(2R)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methylpiperazin-1-yl]sulfonylphenyl]propan-2-ol

HSD-016 is a potent, selective and orally active 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitor with IC50 values of 11, 1 and 8 nM against human, mouse and rat 11β-HSD1, respectively

ChemicalCAS946396-92-5MW514.46FormulaC21H21F7N2O3S
CAS number
946396-92-5
Molecular weight
514.46
Formula
C21H21F7N2O3S
Solubility
DMSO ： 100 mg/mL (194·38 mM; Need ultrasonic)
InChIKey
ZWASRJHIEFYJGL-BFUOFWGJSA-N
Catalogue number
GC64659
Brand
GLPBIO
Computed properties PubChem CID 16721125 · XLogP 4.5 · TPSA 69.2 Ų · H-bond donors 1
XLogP
4.5
TPSA
69.2 Ų
H-bond donors
1
H-bond acceptors
12
Rotatable bonds
4
Heavy atoms
34

SMILES C[C@@H]1CN(CCN1S(=O)(=O)C2=CC=CC(=C2)[C@](C)(C(F)(F)F)O)C3=C(C=C(C=C3)F)C(F)(F)F

Computed descriptors from PubChem (CID 16721125), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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