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NDB

CAT: 1410-M35688-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M35688-01Size:1 Each
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Description
NDB is a selective and potent hFXRα antagonist that inhibits GW4064-stimulated FXR/RXR interactions and FXRα target gene expression in primary mouse hepatocytes.NDB is used in the study of diabetes.
CAS Number
1660153-08-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
471.42
Molecular Formula
C26H28Cl2N2O2
Notes
Research use only, not for human use.
Receptor
FXR

Chemical Information

N-Benzyl-N-(3-Tert-Butyl-4-Hydroxyphenyl)-2,6-Dichloro-4-(Dimethylamino)benzamide
CAS Number1660153-08-1
PubChem CID91664002
IUPAC NameN-benzyl-N-(3-tert-butyl-4-hydroxyphenyl)-2,6-dichloro-4-(dimethylamino)benzamide
Molecular FormulaC26H28Cl2N2O2
Molecular Weight471.4
XLogP7.1
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count32
Formal Charge0
Complexity605
SMILES
CC(C)(C)C1=C(C=CC(=C1)N(CC2=CC=CC=C2)C(=O)C3=C(C=C(C=C3Cl)N(C)C)Cl)O
InChI
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
Chemical Structure
2D Structure
2D structure of N-Benzyl-N-(3-Tert-Butyl-4-Hydroxyphenyl)-2,6-Dichloro-4-(Dimethylamino)benzamide
CAS: 1660153-08-1
CID: 91664002
Formula: C26H28Cl2N2O2
MW: 471.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.4
XLogP37.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass470.1527835
Monoisotopic Mass470.1527835
Topological Polar Surface Area43.8 Ų
Heavy Atom Count32
Formal Charge0
Complexity605
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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