4-Epianhydrotetracycline hydrochloride , CAS No.4465-65-0

CAS: 4465-65-0 Cat. No.: E1418970 Peso molecular: 462.88 Beilstein Registry Number: 3840711 PubChem CID: 54682545

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

4-Epianhydrotetracycline hydrochloride is a major intermediate product of Tetracycline. 4-Epianhydrotetracycline hydrochloride shows lethal effects and induces cell apoptosis of zebrafish embryos. 4-Epianhydrotetracycline hydrochloride inhibits Shewanella , E. coli and P. aeruginosa with MIC values of 2, 1 and 64 mg/L, respectively.

Specifications

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Nombres e identificadores

• Sonrisas canónicas: CC1=C2C=CC=C(C2=C(C3=C1CC4C(C(=O)C(=C(C4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl
• IUPAC Name: (4R,4aS,12aR)-4-(dimethylamino)-1,10,11,12a-tetrahydroxy-6-methyl-3,12-dioxo-4a,5-dihydro-4H-tetracene-2-carboxamide;hydrochloride
• InChIKey: SPFAOPCHYIJPHJ-MOMXNFOMSA-N
• INCHI: 1S/C22H22N2O7.ClH/c1-8-9-5-4-6-12(25)13(9)17(26)14-10(8)7-11-16(24(2)3)18(27)15(21(23)30)20(29)22(11,31)19(14)28;/h4-6,11,16,25-26,29,31H,7H2,1-3H3,(H2,23,30);1H/t11-,16+,22-;/m0./s1
• Isómeros SMILES: CC1=C2C=CC=C(C2=C(C3=C1C[C@H]4[C@H](C(=O)C(=C([C@]4(C3=O)O)O)C(=O)N)N(C)C)O)O.Cl
• PubChem CID: 54682545
• Peso molecular: 462.88
• Beilstein: 3840711

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Tetracyclines

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Tetracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracyclines
• Alternative Parents: Anthracenecarboxylic acids and derivatives Naphthols and derivatives Butyrophenones Tetralins Aryl alkyl ketones Cyclohexenones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Gamma-amino ketones Fatty amides Beta-hydroxy ketones Alpha-branched alpha,beta-unsaturated ketones Acyloins Vinylogous acids Tertiary alcohols Enones Alpha-hydroxy ketones Alpha-amino ketones Acryloyl compounds 1,3-aminoalcohols Trialkylamines Amino acids and derivatives Polyols Carboxylic acid amides Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Butyrophenone - Tetralin - Naphthalene - Aryl alkyl ketone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Fatty acyl - Alpha-branched alpha,beta-unsaturated-ketone - Benzenoid - Gamma-aminoketone - Fatty amide - Beta-hydroxy ketone - Acyloin - Vinylogous acid - Alpha,beta-unsaturated ketone - Tertiary alcohol - Enone - Alpha-hydroxy ketone - Alpha-aminoketone - Acryloyl-group - 1,3-aminoalcohol - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Carboxamide group - Amino acid or derivatives - Polyol - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracyclines. These are polyketides having an octahydrotetracene-2-carboxamide skeleton, substituted with many hydroxy and other 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