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Chemical structure of 11β-HSD1-IN-1

GC30969

11β-HSD1-IN-1

Also known as 3-(2-chloro-4-fluorophenyl)-4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazole

11β-HSD1-IN-1 is an inhibitor of 11β-hydroxydehydrogenase 1 (11β-HSD1), with an IC50 of 52 nM, and used for the treatment of pain

ChemicalCAS1203956-47-1MW399.77FormulaC18H14ClF4N3O
CAS number
1203956-47-1
Molecular weight
399.77
Formula
C18H14ClF4N3O
Solubility
Soluble in DMSO
InChIKey
RLMHTTIIAURQCM-UHFFFAOYSA-N
Catalogue number
GC30969
Brand
GLPBIO
Computed properties PubChem CID 44601374 · XLogP 4.2 · TPSA 39.9 Ų · H-bond donors 0
XLogP
4.2
TPSA
39.9 Ų
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27

SMILES CC(C)(C1=NN=C(N1C)C2=C(C=C(C=C2)F)Cl)OC3=C(C=C(C=C3F)F)F

Computed descriptors from PubChem (CID 44601374), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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