Bioymifi - ≥97%(HPLC) , CAS No.1420071-30-2

CAS: 1420071-30-2 Cat. No.: B288510 Peso molecular: 494.32 Número EC: 809-115-8

GRADE & PURITY ≥97%(HPLC)

Synonyms

(Z)-5-(5-[(3-[4-Bromophenyl]-2-imino-4-oxothiazolidin-5-ylidene)methyl]furan-2-yl)isoindoline-1,3-dione | s7942 | 5-(5-{[(5Z)-3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2,3-dihydro-1H-isoindole-1,3-dione | MFCD28118988 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

product description：

Bioymifi (DR5 Activator), a potent TRAIL receptor DR5 activator, binds to the extracellular domain (ECD) of DR5 with a Kd of 1.2 μM. Bioymifi can act as a single agent to induce DR5 clustering and aggregation, leading to apoptosis.

Specifications

Sinónimos

(Z)-5-(5-[(3-[4-Bromophenyl]-2-imino-4-oxothiazolidin-5-ylidene)methyl]furan-2-yl)isoindoline-1, 3-dione | s7942 | 5-(5-{[(5Z)-3-(4-bromophenyl)-2-imino-4-oxo-1, 3-thiazolidin-5-ylidene]methyl}furan-2-yl)-2, 3-dihydro-1H-isoindole-1, 3-dione | MFCD28118988 |

Especificaciones y pureza

≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

DR5 (TRAIL receptor) agonist. Directly binds extracellular domain of DR5 (Kd= 1.2 μM) and induces the formation of DR5 aggregates. Induces apoptosis of glioblastoma cells.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥97%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504771972
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771972
• Sonrisas canónicas: C1=CC(=CC=C1N2C(=O)C(=CC3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)SC2=N)Br
• IUPAC Name: 5-[5-[(Z)-[3-(4-bromophenyl)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]isoindole-1,3-dione
• InChIKey: ULBOWKXOFOTCMU-NLDKGBHCSA-N
• INCHI: 1S/C22H12BrN3O4S/c23-12-2-4-13(5-3-12)26-21(29)18(31-22(26)24)10-14-6-8-17(30-14)11-1-7-15-16(9-11)20(28)25-19(15)27/h1-10,24H,(H,25,27,28)/b18-10-,24-22?
• Isómeros SMILES: C1=CC(=CC=C1N2C(=O)/C(=C/C3=CC=C(O3)C4=CC5=C(C=C4)C(=O)NC5=O)/SC2=N)Br
• Peso molecular: 494.32
• Reaxy-Rn: 50376554
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50376554&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles Bromobenzenes Aryl bromides Thiazolidines N-unsubstituted carboxylic acid imides Heteroaromatic compounds Furans Isothioureas Oxacyclic compounds Azacyclic compounds Organobromides Organic oxides Imines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxylic acid imide - Furan - Thiazolidine - Carboxylic acid imide, n-unsubstituted - Isothiourea - Carboxylic acid derivative - Oxacycle - Azacycle - Imine - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 0.49, Max Conc. mM: 1 with gentle warming
• Peso molecular: 494.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 492.973 Da
• Monoisotopic Mass: 492.973 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 841.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1