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

CAS: 358970-97-5 Cat. No.: A288684 Fórmula: C₂₃H₂₀Cl₂F₂N₂O₂S Peso molecular: 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

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

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

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Antagonista potente e seletivo do recetor CB1 (os valores IC50 são de 25 e 10 nM para o recetor CB1R humano e do rato, respetivamente). Apresenta uma seletividade >400 vezes maior para os receptores CB1 do que para os receptores CB2. Atenua o aumento de p

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

Tipo de ação

ANTAGONIST

Mecanismo de ação

Cannabinoid CB1 receptor antagonist

Pureza

≥98%(HPLC)

Propriedades do produto

• ALogP: 5.6

Nomes e identificadores

• Sorrisos canónicos: 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
• SMILES isoméricas: 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
• Peso molecular: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 49.74, Max Conc. mM: 100
• Peso molecular: 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