AVE 1625 - ≥98%(HPLC) , Cannabinoid CB1 receptor antagonist, CAS No.358970-97-5, Cannabinoid CB1 receptor antagonist

CAS: 358970-97-5 Cat. No.: A288684 Formule: C₂₃H₂₀Cl₂F₂N₂O₂S Poids moléculaire: 497.38

QUALITÉ & PURETÉ ≥98%(HPLC)

Synonyms

Drinabant | HY-14788 | N-[1-[Bis(4-chlorophenyl)methyl]-3-azetidinyl]-N-(3,5-difluorophenyl)methanesulfonamide | AVE 1625 | N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide | Q5307675 | AVE1625 | AVE-1625 | UNII-61S9

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Spécifications

Synonymes

Drinabant | HY-14788 | N-[1-[Bis(4-chlorophenyl)methyl]-3-azetidinyl]-N-(3,5-difluorophenyl)methanesulfonamide | AVE 1625 | N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide | Q5307675 | AVE1625 | AVE-1625 | UNII-61S9

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Potent and selective CB1receptor antagonist (IC50values are 25 and 10 nM for human and rat CB1R, respectively). Exhibits >400-fold selectivity for CB1over CB2receptors. AttenuatesOlanzapine induced weight gain and food intake in rats with no effect on ene

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ANTAGONIST

Mécanisme d'action

Cannabinoid CB1 receptor antagonist

Pureté

≥98%(HPLC)

Propriétés du produit

ALogP

5.6

Noms et identifiants

Sourires canoniques

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)F)F

IUPAC Name

N-[1-[bis(4-chlorophenyl)methyl]azetidin-3-yl]-N-(3,5-difluorophenyl)methanesulfonamide

InChIKey

IQQBRKLVEALROM-UHFFFAOYSA-N

INCHI

1S/C23H20Cl2F2N2O2S/c1-32(30,31)29(21-11-19(26)10-20(27)12-21)22-13-28(14-22)23(15-2-6-17(24)7-3-15)16-4-8-18(25)9-5-16/h2-12,22-23H,13-14H2,1H3

Isomères SMILES

CS(=O)(=O)N(C1CN(C1)C(C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)Cl)C4=CC(=CC(=C4)F)F

Poids moléculaire

497.38

Reaxy-Rn

12694521

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12694521&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Sulfanilides Aralkylamines Fluorobenzenes Chlorobenzenes Organosulfonamides Organic sulfonamides Aryl chlorides Aryl fluorides Aminosulfonyl compounds Trialkylamines Azetidines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Sulfanilide - Halobenzene - Aralkylamine - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organic sulfonic acid amide - Organosulfonic acid amide - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azetidine - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 49.74, Max Conc. mM: 100
• Poids moléculaire: 497.400 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 496.059 Da
• Monoisotopic Mass: 496.059 Da
• Topological Polar Surface Area: 49.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 686.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1