AEG 3482 - ≥99%(HPLC) , CAS No.63735-71-7

CAS: 63735-71-7 Cat. No.: A287091 Fórmula: C₁₀H₈N₄O₂S₂ Peso molecular: 280.33

CALIDAD & PUREZA ≥99%(HPLC)

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Especificaciones

Especificaciones y pureza

≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Inhibidor de la señalización de la c-jun N-terminal quinasa (JNK). Se une a Hsp90 y facilita la liberación de HSF1, induce la expresión de Hsp70, que a su vez bloquea la activación de JNK y la apoptosis dependiente de JNK. Antiapoptótico; inhibe la muerte

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Tipo de acción

INHIBITOR

Pureza

≥99%(HPLC)

Nombres e identificadores

Pubchem Sid

528763033

Sonrisas canónicas

C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)S(=O)(=O)N

IUPAC Name

6-phenylimidazo[2,1-b][1,3,4]thiadiazole-2-sulfonamide

InChIKey

MQUYTXDAVCOCMX-UHFFFAOYSA-N

INCHI

1S/C10H8N4O2S2/c11-18(15,16)10-13-14-6-8(12-9(14)17-10)7-4-2-1-3-5-7/h1-6H,(H2,11,15,16)

Isómeros SMILES

C1=CC=C(C=C1)C2=CN3C(=N2)SC(=N3)S(=O)(=O)N

WGK Alemania

3

Peso molecular

280.33

Reaxy-Rn

1007641

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1007641&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Imidazoles
        • Level5 Substituted imidazoles
          • Level6 Phenylimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Imidazoles
• Intermediate Tree Nodes: Substituted imidazoles
• Direct Parent: Phenylimidazoles
• Alternative Parents: Thiadiazole sulfonamides Organosulfonamides N-substituted imidazoles Benzene and substituted derivatives Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - 1,3,4-thiadiazole-2-sulfonamide - Monocyclic benzene moiety - N-substituted imidazole - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiadiazole - Aminosulfonyl compound - Azacycle - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazoles. These are polycyclic aromatic compounds containing a benzene ring linked to an imidazole ring through a CC or CN bond.
• 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

Objetivos asociados (humanos)

MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)

Discover Target: MEN1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

Discover Target: Rorc

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 28.03, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 1.4, Max Conc. mM: 5
• Peso molecular: 280.300 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 280.009 Da
• Monoisotopic Mass: 280.009 Da
• Topological Polar Surface Area: 127.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 405.000
• 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