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Details

Stereochemistry ACHIRAL
Molecular Formula C17H12F9NO3S
Molecular Weight 481.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of T0901317

SMILES

OC(C1=CC=C(C=C1)N(CC(F)(F)F)S(=O)(=O)C2=CC=CC=C2)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=SGIWFELWJPNFDH-UHFFFAOYSA-N
InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2

HIDE SMILES / InChI

Description

T0901317 is a potent, high affinity liver X receptors (LXRs) agonist. It upregulates expression of the ABCA1 gene associated with cholesterol efflux regulation and high-density lipoproteins metabolism. It also exhibits inverse agonist activity at constitutive androstane receptors (CARs). T0901317 activates bile acid farnesoid X receptors (FXRs), and it is 10-fold more potent than natural FXR ligand chenodeoxycholic acid.

CNS Activity

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
5.0 µM [EC50]
20.0 nM [IC50]
50.0 nM [Kd]
2.2 µM [IC50]

Conditions

ConditionModalityTargetsHighest PhaseProduct

PubMed

Patents

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
HEK293 cells transfected with human LXRalpha and LXR response elements were treated with increasing concentrations of T0901317 or endogenous LXR ligand, 24(S),25-epoxycholesterol (24,25-EC). Synthetic ligand induced transcriptional activity of LXRalpha nearly eightfold with EC50 value of 20 nM. T0901317 appeared significantly more active than 24,25-EC, which displayed an EC50 value of 3 uM.