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Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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SKU | Size | Availability | Price | Qty |
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T414143-1mg | 1mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $507.90 | |
T414143-5mg | 5mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $587.90 | |
T414143-10mg | 10mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $677.90 | |
T414143-25mg | 25mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $867.90 | |
T414143-50mg | 50mg | Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding. | $1,097.90 |
FXR Agonists
Synonyms | Tropifexor|1383816-29-2|LJN452|NVP-LJN452-NXA|Tropifexor (LJN452)|LJN-452|Tropifexor [INN]|Tropifexor [USAN]|NMZ08KM76Z|2-[(1R,3r,5S)-3-({5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methoxy)-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-ben |
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Specifications & Purity | Moligand™, ≥99% |
Biochemical and Physiological Mechanisms | Tropifexor (LJN452) is a novel and highly potent agonist of FXR with EC50 of 0.2 nM in HTRF assay. It shows no significant off-target activity against a broad panel of enzyme, ion channel, nuclear receptor, and GPCR (>10000-fold selectivity for FXR). |
Storage Temp | Store at -20°C |
Shipped In | Ice chest + Ice pads |
Grade | Moligand™ |
Action Type | AGONIST |
Mechanism of action | Bile acid receptor FXR agonist |
Product Description | Information Tropifexor (LJN452) Tropifexor (LJN452) is a novel and highly potent agonist of FXR with EC50 of 0.2 nM in HTRF assay. It shows no significant off-target activity against a broad panel of enzyme, ion channel, nuclear receptor, and GPCR (>10000-fold selectivity for FXR). Targets FXR (HTRF assay) 0.2 nM(EC50) In vitro LJN-452 in in vitro pharmacological studies has shown to be a potent human FXR agonist with > 30,000-fold selectivity over other nuclear receptors. LJN-452 could increases BSEP and SHP expression in primary human hepatocyte. In vivo Tropifexor has low clearance (CL = 9 mL/min/kg) and a significantly longer terminal half-life (T1/2 = 3.7 h) in rat pharmacokinetics. Oral bioavailability of tropifexor in the rat is 20% from an aqueous microemulsion formulation. In the mouse, following IV administration, Tropifexo 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 T1/2 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 LJN-452, in single-dose or multiple-dose studies, with its target engagement in enterocyte FXRs. Tropifexor improves liver transaminases and fibrosis in the ANIT model. |
ALogP | 6.8 |
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IUPAC Name | 2-[(1R,5S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-8-azabicyclo[3.2.1]octan-8-yl]-4-fluoro-1,3-benzothiazole-6-carboxylic acid |
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INCHI | InChI=1S/C29H25F4N3O5S/c30-21-9-15(27(37)38)10-23-25(21)34-28(42-23)36-16-7-8-17(36)12-18(11-16)39-13-20-24(35-41-26(20)14-5-6-14)19-3-1-2-4-22(19)40-29(31,32)33/h1-4,9-10,14,16-18H,5-8,11-13H2,(H,37,38)/t16-,17+,18? |
InChi Key | VYLOOGHLKSNNEK-JWTNVVGKSA-N |
Canonical 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 |
Isomeric SMILES | C1C[C@H]2CC(C[C@@H]1N2C3=NC4=C(C=C(C=C4S3)C(=O)O)F)OCC5=C(ON=C5C6=CC=CC=C6OC(F)(F)F)C7CC7 |
PubChem CID | 121418176 |
Molecular Weight | 603.58 |
PubChem CID | 121418176 |
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CAS Registry No. | 1383816-29-2 |
RCSB PDB Ligand | GWF |
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To view the certificate results,please click on a Lot number.For Lot numbers from past orders,please use our order status section
Lot Number | Certificate Type | Date | Item |
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L2320220 | Certificate of Analysis | Nov 29, 2023 | T414143 |
L2320226 | Certificate of Analysis | Nov 29, 2023 | T414143 |
L2320227 | Certificate of Analysis | Nov 29, 2023 | T414143 |
L2320228 | Certificate of Analysis | Nov 29, 2023 | T414143 |
L2320229 | Certificate of Analysis | Nov 29, 2023 | T414143 |
Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (165.67 mM); Water: Insoluble; Ethanol: Insoluble; |
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1. Tully DC, Rucker PV, Chianelli D, Williams J, Vidal A, Alper PB, Mutnick D, Bursulaya B, Schmeits J, Wu X et al.. (2017) Discovery of Tropifexor (LJN452), a Highly Potent Non-bile Acid FXR Agonist for the Treatment of Cholestatic Liver Diseases and Nonalcoholic Steatohepatitis (NASH).. J Med Chem, 60 (24): (9960-9973). [PMID:29148806] |