5-Iminodaunorubicin hydrochloride , CAS No.67324-99-6

CAS: 67324-99-6 Cat. No.: I1426147 PubChem CID: 72399

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

5-Iminodaunorubicin hydrochloride is a quinone-modified anthracycline that retains antitumor activity. 5-Iminodaunorubicin hydrochloride produces protein-concealed DNA strand breaks in cancer cells.

Specifications

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

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

Names and Identifiers

• Canonical Smiles: CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl
• IUPAC Name: (8S,10S)-8-acetyl-10-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,8,11-trihydroxy-12-imino-1-methoxy-9,10-dihydro-7H-tetracen-5-one;hydrochloride
• InChIKey: KVTVLWOKIDKIQL-KOFUDPRISA-N
• INCHI: 1S/C27H30N2O9.ClH/c1-10-23(31)14(28)7-17(37-10)38-16-9-27(35,11(2)30)8-13-19(16)26(34)20-21(25(13)33)24(32)12-5-4-6-15(36-3)18(12)22(20)29;/h4-6,10,14,16-17,23,29,31,33-35H,7-9,28H2,1-3H3;1H/t10-,14-,16-,17-,23+,27-;/m0./s1
• Isomeric SMILES: C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=N)C(=CC=C5)OC)O)(C(=O)C)O)N)O.Cl
• Alternate CAS: 67324-99-6,72983-78-9 (Parent)
• PubChem CID: 72399
• MeSH Entry Terms: 5-iminodaunomycin;5-iminodaunorubicin;5-iminodaunorubicin hydrochloride;NSC-254681

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides
• Direct Parent: Aminoglycosides
• Alternative Parents: Anthracenes Hexoses O-glycosyl compounds Tetralins Anisoles Aryl ketones P-quinonimines Alkyl aryl ethers Oxanes Alpha-hydroxy ketones Vinylogous acids Tertiary alcohols Ketimines 1,2-aminoalcohols Secondary alcohols Oxacyclic compounds Acetals Polyols Hydrochlorides Hydrocarbon derivatives Aldehydes Organopnictogen compounds Monoalkylamines Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aminoglycoside core - Anthracene - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Tetralin - Anisole - P-quinonimine - Aryl ketone - Quinonimine - Alkyl aryl ether - Monosaccharide - Oxane - Benzenoid - Tertiary alcohol - Vinylogous acid - Alpha-hydroxy ketone - Secondary alcohol - Ketimine - Ketone - 1,2-aminoalcohol - Polyol - Acetal - Ether - Oxacycle - Organoheterocyclic compound - Aldehyde - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Primary amine - Hydrochloride - Imine - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aminoglycosides. These are molecules or a portion of a molecule composed of amino-modified sugars.
• 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