Pixantrone Dimaleate - 10mM in DMSO , DNA cross-linking agent, CAS No.144675-97-8, DNA cross-linking agent

CAS: 144675-97-8 Cat. No.: P421643 Fórmula: C₁₇H₁₉N₅O₂・2(C₄H₄O₄) Peso molecular: 557.51 Número CE: 680-661-5

GRADE & PURITY 10mM in DMSO

Synonyms

Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2-butenedioate (1:2) | D09654 | s5059 | 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione;(Z)-but-2-enedioic acid | F14530 | Pixantrone (dimaleate) | Pixolti | AS-74252 | BP164036

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Pixantrone Dimaleate is a synthetic anthracene-9,10-dione that has anti-tumor activity and is considered a promising immunosuppressant agent for treatment of multiple sclerosis.

Specifications

Sinónimos

Benz(g)isoquinoline-5,10-dione, 6,9-bis((2-aminoethyl)amino)-, (2Z)-2-butenedioate (1:2) | D09654 | s5059 | 6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione;(Z)-but-2-enedioic acid | F14530 | Pixantrone (dimaleate) | Pixolti | AS-74252 | BP164036

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Pixantrone (BBR 2778) is an aza-anthracenedione with enhanced antitumor activity due to its DNA-intercalating and topoisomerase II-poisoning activity. Pixantrone shows no signs of acute or delayed cardiotoxicity seen with anthracyclines mitoxantrone and d

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

CROSS-LINKING AGENT

Mecanismo de ação

DNA cross-linking agent

Nomes e identificadores

Pubchem Sid

528770740

Sorrisos canónicos

C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

IUPAC Name

6,9-bis(2-aminoethylamino)benzo[g]isoquinoline-5,10-dione;(Z)-but-2-enedioic acid

InChIKey

SVAGFBGXEWPNJC-SPIKMXEPSA-N

INCHI

1S/C17H19N5O2.2C4H4O4/c18-4-7-21-12-1-2-13(22-8-5-19)15-14(12)16(23)10-3-6-20-9-11(10)17(15)24;2*5-3(6)1-2-4(7)8/h1-3,6,9,21-22H,4-5,7-8,18-19H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

SMILES isoméricas

C1=CC(=C2C(=O)C3=C(C(=O)C2=C1NCCN)C=CN=C3)NCCN.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

CAS alternativo

144510-96-3

Peso molecular

557.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Unsaturated fatty acids Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Fatty acyl - Fatty acid - Unsaturated fatty acid - Dicarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid 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

Propriedades químicas e físicas

• Peso molecular: 557.500 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 15
• Rotatable Bond Count: 10
• Exact Mass: 557.176 Da
• Monoisotopic Mass: 557.176 Da
• Topological Polar Surface Area: 272.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 591.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

XLogP3