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BNS808

CAT: 0013-GTR19258286-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258286-01Size:10 mg
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Description
BNS808 is an orally active, selective CB1R antagonist with an IC50 of 0.8 nM, demonstrating significant selectivity for CB2R and minimal brain penetration. It is being studied for the treatment of obesity and related metabolic complications, such as metabolic dysfunction-associated steatotic liver disease (MASLD) . BNS808 reduces drug exposure to the central nervous system, enhancing safety, and minimizes drug interactions through high plasma protein binding.
CAS Number
2836313-12-1
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
O=S (=O) (NC1C2=NN (C=3C=CC=CC3Cl) C (C=4C=CC (Cl) =CC4) =C2OCCC1) C5=CC=C (Cl) C=C5
Molecular Formula
C25H20Cl3N3O3S
Molecular Weight
548.869
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-chloro-N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]benzenesulfonamide
CAS Number2836313-12-1
PubChem CID172430019
IUPAC Name4-chloro-N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]benzenesulfonamide
Molecular FormulaC25H20Cl3N3O3S
Molecular Weight548.9
XLogP6.4
Topological Polar Surface Area81.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity800
SMILES
C1CC(C2=NN(C(=C2OC1)C3=CC=C(C=C3)Cl)C4=CC=CC=C4Cl)NS(=O)(=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C25H20Cl3N3O3S/c26-17-9-7-16(8-10-17)24-25-23(29-31(24)22-6-2-1-4-20(22)28)21(5-3-15-34-25)30-35(32,33)19-13-11-18(27)12-14-19/h1-2,4,6-14,21,30H,3,5,15H2
InChIKey
VSSQVUBXWXIWJG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-chloro-N-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5,6,7,8-tetrahydrooxepino[3,2-c]pyrazol-8-yl]benzenesulfonamide
CAS: 2836313-12-1
CID: 172430019
Formula: C25H20Cl3N3O3S
MW: 548.9
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight548.9
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass547.029096
Monoisotopic Mass547.029096
Topological Polar Surface Area81.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity800
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T206797-01BNS808

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