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

CAS: 358970-97-5 Cat. No.: A288684 Molecular Weight: 497.38

GRADE & PURITY ≥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

Specifications

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

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Cannabinoid CB1 receptor antagonist

Purity

≥98%(HPLC)

Product Properties

• ALogP: 5.6

Names and Identifiers

• Canonical 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
• 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
• Isomeric 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
• Molecular Weight: 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
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 49.74, Max Conc. mM: 100
• Molecular Weight: 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