7-Deoxy Doxorubicin Aglycone - ≥75% , CAS No.38554-25-5

CAS: 38554-25-5 Cat. No.: D335472 Peso molecular: 398.36

GRADE & PURITY ≥75%

Synonyms

5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8R)- | 7-Deoxy Doxorubicin Aglycone | 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (R)- | NSC-270536 | 7-Deoxyadriamy

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Descripción general

7-Deoxy Doxorubicin Aglycone is a metabolite of Doxorubicin (Dx).

Specifications

Sinónimos

5, 12-Naphthacenedione, 7, 8, 9, 10-tetrahydro-6, 8, 11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (8R)- | 7-Deoxy Doxorubicin Aglycone | 5, 12-Naphthacenedione, 7, 8, 9, 10-tetrahydro-6, 8, 11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-, (R)- | NSC-270536 | 7-Deoxyadriamy

Especificaciones y pureza

≥75%

Condiciones de almacenamiento de almacenamiento

Protected from light, Store at -20°C, Argon charged

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

≥75%

Nombres e identificadores

• Sonrisas canónicas: COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4)(C(=O)CO)O)C(=C3C2=O)O)O
• IUPAC Name: (9R)-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione
• InChIKey: QHGFPRZWWKUHKF-OAQYLSRUSA-N
• INCHI: 1S/C21H18O8/c1-29-12-4-2-3-10-14(12)20(27)16-15(18(10)25)19(26)11-7-21(28,13(23)8-22)6-5-9(11)17(16)24/h2-4,22,24,26,28H,5-8H2,1H3/t21-/m1/s1
• Isómeros SMILES: COC1=CC=CC2=C1C(=O)C3=C(C4=C(C[C@](CC4)(C(=O)CO)O)C(=C3C2=O)O)O
• Peso molecular: 398.36
• Reaxy-Rn: 37825261
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37825261&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Naphthacenes
      • Subclass Tetracenequinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Naphthacenes
• Subclass: Tetracenequinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracenequinones
• Alternative Parents: Anthraquinones Tetralins Aryl ketones Anisoles Alkyl aryl ethers Vinylogous acids Tertiary alcohols Alpha-hydroxy ketones Polyols Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracenequinone - 9,10-anthraquinone - 1,4-anthraquinone - Anthracene - Tetralin - Aryl ketone - Anisole - Alkyl aryl ether - Vinylogous acid - Tertiary alcohol - Alpha-hydroxy ketone - Ketone - Polyol - Ether - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Primary alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracenequinones. These are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4.
• 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: Soluble in DMSO
• Sensibilidad: Light sensitive
• Punto de fusión (°C): 225-228° C (dec.)
• Peso molecular: 398.400 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 398.1 Da
• Monoisotopic Mass: 398.1 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 707.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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