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Chemical structure of Tropifexor

GC19363

Tropifexor

Also known as 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

Tropifexor is a novel and highly potent agonist of FXR with an EC50 of 0·2 nM

ChemicalCAS1383816-29-2MW603.58FormulaC29H25F4N3O5S
CAS number
1383816-29-2
Molecular weight
603.58
Formula
C29H25F4N3O5S
Solubility
DMSO ： ≥ 80·66 mg/mL (133·64 mM)
InChIKey
VYLOOGHLKSNNEK-JWTNVVGKSA-N
Catalogue number
GC19363
Brand
GLPBIO
Computed properties PubChem CID 121418176 · XLogP 6.8 · TPSA 126 Ų · H-bond donors 1
XLogP
6.8
TPSA
126 Ų
H-bond donors
1
H-bond acceptors
13
Rotatable bonds
8
Heavy atoms
42

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

Computed descriptors from PubChem (CID 121418176), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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