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1660153-08-1

1660153-08-1 Structure

1660153-08-1 Structure
IdentificationBack Directory
[Name]

NDB
[CAS]

1660153-08-1
[Synonyms]

NDB
NDB >=98% (HPLC)
Benzamide, 2,6-dichloro-4-(dimethylamino)-N-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-N-(phenylmethyl)-
[Molecular Formula]

C26H28Cl2N2O2
[MOL File]

1660153-08-1.mol
[Molecular Weight]

471.42
Chemical PropertiesBack Directory
[Boiling point ]

628.6±55.0 °C(Predicted)
[density ]

1.258±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: 10mg/mL, clear
[form ]

Solid
[pka]

11.35±0.20(Predicted)
[color ]

White to off-white
[InChI]

1S/C26H28Cl2N2O2/c1-26(2,3)20-13-18(11-12-23(20)31)30(16-17-9-7-6-8-10-17)25(32)24-21(27)14-19(29(4)5)15-22(24)28/h6-15,31H,16H2,1-5H3
[InChIKey]

IDACWMHIKWNAEO-UHFFFAOYSA-N
[SMILES]

CN(C)C1=CC(Cl)=C(C(N(CC2=CC=CC=C2)C3=CC(C(C)(C)C)=C(O)C=C3)=O)C(Cl)=C1
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

NDB is a selective human FXRα (hFXRα) antagonist that is effective in modulating transcription of FXRα downstream genes. NDB can be used in anti-diabetes research[1].
[Biological Activity]

NDB is a selective antagonist of human Farnesoid X receptor α (FXRα) th at effectively modulates FXRα down-stream genes.
[in vivo]

NDB (24 mg/kg; intraperitoneal injection; once a day; for 4 weeks) efficiently decreases the gene expressions of phosphoenolpyruvate carboxykinase (PEPCK), glucose 6-phosphatase (G6-pase), small heterodimer partner, and BSEP in db/db mice[1].

Animal Model:Male C57BL/6J db/db mice (8 weeks of age)[1]
Dosage:24 mg/kg
Administration:Intraperitoneal injection; once a day; for 4 weeks
Result:Decreased the gene expressions of PEPCK, G6-pase, small heterodimer partner, and BSEP.
[References]

[1] Xing Xu, et al. Structural Basis for Small Molecule NDB (N-Benzyl-N-(3-(tert-butyl)-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino) Benzamide) as a Selective Antagonist of Farnesoid X Receptor α (FXRα) in Stabilizing the Homodimerization of the Receptor. J Biol Chem. 2015 Aug 7;290(32):19888-99. DOI:10.1074/jbc.M114.630475
Spectrum DetailBack Directory
[Spectrum Detail]

NDB(1660153-08-1)1HNMR
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