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Tropifexor (LJN452) FXR agonist

Name: Tropifexor (LJN452)
Brand: Selleck Chemicals
SKU: S8733
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.S8733

Tropifexor (LJN452) is a novel and highly potent agonist of FXR with EC50 of 0.2 nM in HTRF assay. This compound shows no significant off-target activity against a broad panel of enzyme, ion channel, nuclear receptor, and GPCR (>10000-fold selectivity for FXR).

Chemical Structure

Molecular Weight: 603.58

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Quality Control

Batch: S873301 DMSO]100 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 99.32%

Cited in Nature Medicine for its top-tier quality
COA
NMR
HPLC
SDS
Datasheet

99.32

Related Targets	Dehydrogenase HSP Transferase P450 (e.g. CYP17) PDE phosphatase PPAR Vitamin Carbohydrate Metabolism Mitochondrial Metabolism
Other FXR Inhibitors	GW4064 Guggulsterone E&Z Turofexorate Isopropyl (XL335) fexaramine BAR502 Nidufexor (LMB-763) Mebhydroline Vonafexor (EYP001) Cilofexor (GS-9674) DY268

Solubility

In vitro
Batch:

DMSO : 100 mg/mL (165.67 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

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Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

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Chemical Information, Storage & Stability

Molecular Weight	603.58	Formula	C₂₉H₂₅F₄N₃O₅S	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1383816-29-2	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)(F)F)COC4CC5CCC(C4)N5C6=NC7=C(C=C(C=C7S6)C(=O)O)F

Mechanism of Action

Targets/IC₅₀/Ki	FXR (HTRF assay) 0.2 nM(EC50)
In vitro	In in vitro pharmacological studies, Tropifexor (LJN452) has shown to be a potent human FXR agonist with > 30,000-fold selectivity over other nuclear receptors. It could increase BSEP and SHP expression in primary human hepatocyte.
In vivo	In rat pharmacokinetics, Tropifexor (LJN452) has low clearance (CL = 9 mL/min/kg) and a significantly longer terminal half-life (T_1/2 = 3.7 h). Oral bioavailability of this compound in the rat is 20% from an aqueous microemulsion formulation. In the mouse, following IV administration, it exhibits low clearance and small volume of distribution with a half-life of 2.6 h. In the dog, following IV injection, the clearance was low and T_1/2 was 7.4 h, also with a small volume of distribution (0.46 L/kg). Preclinical data demonstrate a dose-dependent increase in fibroblast growth factor 19 (FGF-19) levels with it, in single-dose or multiple-dose studies, with its target engagement in enterocyte FXRs. It improves liver transaminases and fibrosis in the ANIT model.
References	[1] https://pubmed.ncbi.nlm.nih.gov/29148806/ [2] https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5638183/ [3] https://pubmed.ncbi.nlm.nih.gov/27997980/

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT04408937	Completed	Liver Disease	Novartis Pharmaceuticals\|Novartis	May 29 2020	Phase 1
NCT02855164	Terminated	Non-alcoholic Steatohepatitis (NASH)	Novartis Pharmaceuticals\|Novartis	August 1 2016	Phase 2
NCT02713243	Completed	Primary Bile Acid Diarrhea	Novartis Pharmaceuticals\|Novartis	January 16 2016	Phase 2

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