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

Overview

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical 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
• 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
• Isomeric 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
• Alternate CAS: 490035-90-0
• PubChem CID: 71587749
• MeSH Entry Terms: ADPM06

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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