Home > Products > Inhibitors/Agonists P465 > 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

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

Catalog Number: EVT-253005

CAS Number: 1000403-03-1

Molecular Formula: C25H43NaO6S

Molecular Weight: 494.7 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

INT-767(cas 1000403-03-1) is a inhibitor of FXR and TGF5 and could have probable effect against some liver and metabolic diseases. It was just planed a Phase II trial for Hepatic fibrosis. IC50: 30 nM(EC50, FXR), 630 nM(EC50, TGR5).

Properties

CAS Number

1000403-03-1

Product Name

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

IUPAC Name

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

Molecular Formula

C25H43NaO6S

Molecular Weight

494.7 g/mol

InChI

InChI=1S/C25H44O6S.Na/c1-5-17-21-14-16(26)8-11-25(21,4)20-9-12-24(3)18(6-7-19(24)22(20)23(17)27)15(2)10-13-31-32(28,29)30;/h15-23,26-27H,5-14H2,1-4H3,(H,28,29,30);/q;+1/p-1/t15-,16-,17-,18-,19+,20+,21+,22+,23-,24-,25-;/m1./s1

InChI Key

TXIWHUPIUUZFFK-PMWRKVJASA-M

SMILES

CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCOS(=O)(=O)[O-])C)C)O.[Na+]

Synonyms

6-ethyl-24-norcholane-3,7,23-triol-23 sulfate
6alpha-ethyl-24-nor-5beta-cholane-3alpha,7alpha,23-triol-23 sulfate sodium salt
6alpha-ethyl-3alpha,7alpha,23-trihydroxy-24-nor-5beta-cholan-23-sulfate sodium salt
INT-767

Canonical SMILES

CCC1C2CC(CCC2(C3CCC4(C(C3C1O)CCC4C(C)CCOS(=O)(=O)[O-])C)C)O.[Na+]

Isomeric 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+]

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