Metarrestin (ML246) - 10mM in DMSO , CAS No.1443414-10-5

CAS: 1443414-10-5 Cat. No.: M421627 Peso molecular: 474.6

GRADE & PURITY 10mM in DMSO

Synonyms

Metarrestin | AC-36411 | BDBM50606398 | trans-4-(7-benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3h-pyrrolo[2,3-d]pyrimidin-3-yl) cyclohexanol | KSC-251-95-1 | trans-4-(4,7-Dihydro-4-imino-5,6-diphenyl-7-(phenylmethyl)-3H-pyrrolo(2,3-d)pyrimidin-3-yl)cyclohexan

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

Information

Metarrestin (ML246) Metarrestin (ML246) is an orally active and specific perinucleolar compartment (PNC) inhibitor that disrupts the nucleolar structure and inhibits RNA polymerase (Pol) I transcription. Metarrestin blocks metastatic development and extends survival in mouse cancer models.

Targets

PNC ; RNA Pol I

Specifications

Sinónimos

Metarrestin | AC-36411 | BDBM50606398 | trans-4-(7-benzyl-4-imino-5, 6-diphenyl-4, 7-dihydro-3h-pyrrolo[2, 3-d]pyrimidin-3-yl) cyclohexanol | KSC-251-95-1 | trans-4-(4, 7-Dihydro-4-imino-5, 6-diphenyl-7-(phenylmethyl)-3H-pyrrolo(2, 3-d)pyrimidin-3-yl)cyclohexan

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Metarrestin (ML246) is an orally active and specific perinucleolar compartment (PNC) inhibitor that disrupts the nucleolar structure and inhibits RNA polymerase (Pol) I transcription. Metarrestin blocks metastatic development and extends survival in mouse

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.

Nombres e identificadores

• Sonrisas canónicas: C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O
• IUPAC Name: 4-(7-benzyl-4-imino-5,6-diphenylpyrrolo[2,3-d]pyrimidin-3-yl)cyclohexan-1-ol
• InChIKey: WSMXAUJFLWRPNT-UHFFFAOYSA-N
• INCHI: 1S/C31H30N4O/c32-30-28-27(23-12-6-2-7-13-23)29(24-14-8-3-9-15-24)34(20-22-10-4-1-5-11-22)31(28)33-21-35(30)25-16-18-26(36)19-17-25/h1-15,21,25-26,32,36H,16-20H2
• Isómeros SMILES: C1CC(CCC1N2C=NC3=C(C2=N)C(=C(N3CC4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)O
• Peso molecular: 474.6
• Reaxy-Rn: 33255685
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33255685&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles
        • Level5 Phenylpyrroles
          • Level6 Diphenylpyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Phenylpyrroles
• Direct Parent: Diphenylpyrroles
• Alternative Parents: Pyrrolo[2,3-d]pyrimidines Cyclohexanols Pyrimidines and pyrimidine derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Cyclic alcohols and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2,3-diphenylpyrrole - Pyrrolo[2,3-d]pyrimidine - Pyrrolopyrimidine - Cyclohexanol - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Cyclic alcohol - Secondary alcohol - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylpyrroles. These are aromatic heterocyclic compounds with a structure based on a pyrrole ring linked to exactly 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

Propiedades químicas y físicas

• Peso molecular: 474.600 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 474.242 Da
• Monoisotopic Mass: 474.242 Da
• Topological Polar Surface Area: 64.599 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 759.000
• 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