WAY-234636 - 10mM in DMSO , CAS No.55589-09-8

CAS: 55589-09-8 Cat. No.: W424731 Fórmula: C₁₆H₁₂N₄O₂ Peso molecular: 292.29208 PubChem CID: 781030

CALIDAD & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

inhibiting the interaction of methyl-binding (MBD) proteins with methylated genomic DNA (reversing epigenetic silencing of genes); Androgen Receptor Modulators; inhibited the AR transcriptional activity; Activators of P-glycoprotein; reversing epigenetic silencing of genes;

Especificaciones

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Propiedades del producto

ALogP

3.408

Enlace rotable

2

Nombres e identificadores

Sonrisas canónicas

CN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)[N+](=O)[O-]

IUPAC Name

4-methyl-2-(4-nitrophenyl)imidazo[1,2-a]benzimidazole

InChIKey

IBVRCTVMEOHDDP-UHFFFAOYSA-N

INCHI

1S/C16H12N4O2/c1-18-14-4-2-3-5-15(14)19-10-13(17-16(18)19)11-6-8-12(9-7-11)20(21)22/h2-10H,1H3

Isómeros SMILES

CN1C2=CC=CC=C2N3C1=NC(=C3)C4=CC=C(C=C4)[N+](=O)[O-]

PubChem CID

781030

Peso molecular

292.29208

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: Nitrobenzenes Benzimidazoles Nitroaromatic compounds N-substituted imidazoles Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 5-phenylimidazole - 4-phenylimidazole - Benzimidazole - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic oxoazanium - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen 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)

MECP2 Tchem Methyl-CpG-binding protein 2 (12 Activities)

Discover Target: MECP2

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mM) Solubilidad máxima: 10
• Peso molecular: 292.290 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 292.096 Da
• Monoisotopic Mass: 292.096 Da
• Topological Polar Surface Area: 68.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 432.000
• 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