ADPM06 , CAS No.490035-90-0

CAS: 490035-90-0 Cat. No.: A1419113 PubChem CID: 71587749

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

ADPM06, a lead candidate azadipyrromethene, is a novel nonporphyrin photodynamic therapeutic (PDT) agent. ADPM06 exhibits IC 50 values in the micro-molar range in human tumor cells and induces apoptosis.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

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Nombres e identificadores

• Sonrisas canónicas: [B-]1(N2C(=C(C(=C2N=C3[N+]1=C(C(=C3C4=CC=CC=C4)Br)C5=CC=C(C=C5)OC)C6=CC=CC=C6)Br)C7=CC=C(C=C7)OC)(F)F
• IUPAC Name: 5,11-dibromo-2,2-difluoro-4,12-bis(4-methoxyphenyl)-6,10-diphenyl-3,8-diaza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaene
• InChIKey: YVKIKMDAXWFEJI-UHFFFAOYSA-N
• INCHI: 1S/C34H24BBr2F2N3O2/c1-43-25-17-13-23(14-18-25)31-29(36)27(21-9-5-3-6-10-21)33-40-34-28(22-11-7-4-8-12-22)30(37)32(42(34)35(38,39)41(31)33)24-15-19-26(44-2)20-16-24/h3-20H,1-2H3
• Isómeros SMILES: [B-]1(N2C(=C(C(=C2N=C3[N+]1=C(C(=C3C4=CC=CC=C4)Br)C5=CC=C(C=C5)OC)C6=CC=CC=C6)Br)C7=CC=C(C=C7)OC)(F)F
• CAS alternativo: 490035-90-0
• PubChem CID: 71587749
• Términos de entrada MeSH: ADPM06

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyrroles
• Alternative Parents: Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aryl bromides Imidolactams Heteroaromatic compounds Vinyl bromides Amidines Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Bromoalkenes Azacyclic compounds Organobromides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-phenylpyrrole - 3-phenylpyrrole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Amidine - Azacycle - Organic metalloid salt - Ether - Bromoalkene - Haloalkene - Vinyl bromide - Vinyl halide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organohalogen compound - Organobromide - Organic cation - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpyrroles. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrole 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