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NDB

CAT: 0804-HY-138937-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138937-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
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].
CAS Number
1660153-08-1
UNSPSC
12352005
Target
FXR
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ndb.html
Purity
98.36
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(N(C1=CC=C(O)C(C(C)(C)C)=C1)CC2=CC=CC=C2)C3=C(Cl)C=C(N(C)C)C=C3Cl
Molecular Formula
C26H28Cl2N2O2
Molecular Weight
471.42
References & Citations
[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.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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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CatalogName
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