SCH 202676 bromhidrato - ≥99%(HPLC) , CAS No.265980-25-4

CAS: 265980-25-4 Cat. No.: S287499 Peso molecular: 348.26 PubChem CID: 11957689

GRADE & PURITY ≥99%(HPLC)

Synonyms

DTXSID8021143 | Hidrobromuro de (Z)-N-(2,3-difenil-1,2,4-tiadiazol-5(2H)-iliden)metanamina | LP01078 | Hidrobromuro de N-metil-2,3-difenil-1,2,4-tiadiazol-5-imina | SCH-202676Hidrobromuro | NCGC00094356-01 | N-(2,3-difenil-1,2,4-tiadiazol-5-(2H)-iliden

Storage

Conservar a 2-8°C,Desecado

Shipped In

Hielo húmedo

Specifications

Sinónimos

DTXSID8021143 | Hidrobromuro de (Z)-N-(2, 3-difenil-1, 2, 4-tiadiazol-5(2H)-iliden)metanamina | LP01078 | Hidrobromuro de N-metil-2, 3-difenil-1, 2, 4-tiadiazol-5-imina | SCH-202676Hidrobromuro | NCGC00094356-01 | N-(2, 3-difenil-1, 2, 4-tiadiazol-5-(2H)-iliden

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Sulphydryl-reactive compound that inhibits agonist and antagonist binding to G-protein-coupled receptors. Inhibits a variety of GPCRs including adenosine, opioid, muscarinic, adrenergic and dopaminergic receptors (IC50values are 0.1-1.8μM).

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, Desecado

Enviado en

Hielo húmedo

Pureza

≥99%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CN=C1N=C(N(S1)C2=CC=CC=C2)C3=CC=CC=C3.Br
• IUPAC Name: N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5-imine;hydrobromide
• InChIKey: YJYGOWVFDGULLL-UHFFFAOYSA-N
• INCHI: 1S/C15H13N3S.BrH/c1-16-15-17-14(12-8-4-2-5-9-12)18(19-15)13-10-6-3-7-11-13;/h2-11H,1H3;1H
• Isómeros SMILES: CN=C1N=C(N(S1)C2=CC=CC=C2)C3=CC=CC=C3.Br
• PubChem CID: 11957689
• Peso molecular: 348.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Thiadiazoles Heteroaromatic compounds Azacyclic compounds Organic bromide salts Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Amine - Organic cation - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 8.71, Max Conc. mM: 25 with gentle warming
• Peso molecular: 348.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 347.009 Da
• Monoisotopic Mass: 347.009 Da
• Topological Polar Surface Area: 53.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 366.000
• 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: 2

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