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Safety Information

SML1604

Sigma-Aldrich

NDB

≥98% (HPLC)

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Synonym(s):
Benzamide, 2,6-dichloro-4-(dimethylamino)-N-[3-(1,1-dimethylethyl)-4-hydroxyphenyl]-N-(phenylmethyl)-, N-Benzyl-N-(3-tert-butyl-4-hydroxy-phenyl)-2,6-dichloro-4-dimethylamino-benzamide
Empirical Formula (Hill Notation):
C26H28Cl2N2O2
CAS Number:
1660153-08-1
Molecular Weight:
471.42
UNSPSC Code:
51111800
PubChem Substance ID:
329825490
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 10 mg/mL, clear

storage temp.

2-8°C

SMILES string

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

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

InChI key

IDACWMHIKWNAEO-UHFFFAOYSA-N

Biochem/physiol Actions

NDB is a selective antagonist of human Farnesoid X receptor α (FXRα) that effectively modulates FXRα down-stream genes.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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