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Chemical structure of RORγt inverse agonist 23

GC65953

RORγt inverse agonist 23

Also known as N-cyclobutyl-N-(4-ethylphenyl)-4-hydroxy-2-(oxan-4-yl)-3,4-dihydro-2H-chromene-6-sulfonamide

RORγt inverse agonist 23 is a potent, selective, and orally available novel retinoic acid receptor-related orphan receptor γt inverse agonist

ChemicalCAS2230779-18-5MW471.61FormulaC26H33NO5S
CAS number
2230779-18-5
Molecular weight
471.61
Formula
C26H33NO5S
Solubility
DMSO ： ≥ 100 mg/mL (212·04 mM)
InChIKey
NIQAXHRTVPHVOC-UHFFFAOYSA-N
Catalogue number
GC65953
Brand
GLPBIO
Computed properties PubChem CID 142380380 · XLogP 4.3 · TPSA 84.5 Ų · H-bond donors 1
XLogP
4.3
TPSA
84.5 Ų
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

SMILES CCC1=CC=C(C=C1)N(C2CCC2)S(=O)(=O)C3=CC4=C(C=C3)OC(CC4O)C5CCOCC5

Computed descriptors from PubChem (CID 142380380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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