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Chemical structure of INT-767

GC32742

INT-767

Also known as sodium [(3R)-3-[(3R,5S,6R,7R,8S,9S,10S,13R,14S,17R)-6-ethyl-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]butyl] sulfate

INT-767 is a dual farnesoid X receptor (FXR)/TGR5 agonist with mean EC50s of 30 and 630 nM, respectively

ChemicalCAS1000403-03-1MW494.66FormulaC25H43NaO6S
CAS number
1000403-03-1
Molecular weight
494.66
Formula
C25H43NaO6S
Solubility
DMSO ： ≥ 205·5 mg/mL (415·44 mM)
InChIKey
TXIWHUPIUUZFFK-PMWRKVJASA-M
Catalogue number
GC32742
Brand
GLPBIO
Computed properties PubChem CID 23712772 · TPSA 115 Ų · H-bond donors 2 · H-bond acceptors 6
TPSA
115 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
33

SMILES CC[C@@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3[C@@H]1O)CC[C@@H]4[C@H](C)CCOS(=O)(=O)[O-])C)C)O.[Na+]

Computed descriptors from PubChem (CID 23712772), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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