4-Epioxytetracycline - ≥95% , CAS No.14206-58-7

CAS: 14206-58-7 Cat. No.: E337836 Summenformel: C₂₂H₂₄N₂O₉ Molekulargewicht: 460.44

GRADE & PURITY ≥95%

Synonyms

Hydroxyquatrimycin; 4-epi-Oxytetracycline; [4R-(4alpha,4abeta,5beta,5abeta,6alpha,12abeta)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Oxytetracycline Hydrochloride Impurity A

Storage

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

Shipped In

Ice chest + Ice pads

Übersicht

4-Epioxytetracycline is a metabolite of Oxytetracycline (OTC) that is also a Tetracycline analogue which inhibits amyloid fibrils.

Specifications

Synonyme

Hydroxyquatrimycin; 4-epi-Oxytetracycline; [4R-(4alpha,4abeta,5beta,5abeta,6alpha,12abeta)]-4-(Dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide; Oxytetracycline Hydrochloride Impurity A

Spezifikationen & Reinheit

≥95%

Storage

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

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Pubchem Sid: 504771348
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771348
• Kanonisches Lächeln: CC1(C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
• IUPAC Name: (4R,4aR,5S,5aR,6S,12aR)-4-(dimethylamino)-1,5,6,10,11,12a-hexahydroxy-6-methyl-3,12-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide
• InChIKey: OWFJMIVZYSDULZ-DVJPNYBFSA-N
• INCHI: 1S/C22H24N2O9/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29/h4-6,12-14,17,25-26,28,30,32-33H,1-3H3,(H2,23,31)/t12-,13-,14-,17+,21-,22+/m1/s1
• Isomere SMILES: C[C@@]1([C@H]2[C@@H]([C@H]3[C@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
• Molekulargewicht: 460.44
• Reaxy-Rn: 33487456
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=33487456&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Tetracyclines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracyclines
• Alternative Parents: Anthracenecarboxylic acids and derivatives Naphthols and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Cyclohexenones Vinylogous acids Tertiary alcohols Trialkylamines Cyclic alcohols and derivatives Amino acids and derivatives Primary carboxylic acid amides Secondary alcohols Enols Polyols Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracycline - Anthracene carboxylic acid or derivatives - 1-naphthol - Naphthalene - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Cyclohexenone - Aralkylamine - Benzenoid - Cyclic alcohol - Tertiary alcohol - Vinylogous acid - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Cyclic ketone - Secondary alcohol - Primary carboxylic acid amide - Carboxamide group - Ketone - Polyol - Carboxylic acid derivative - Enol - Organic oxide - Organic oxygen compound - Organopnictogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic homopolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO and Water
• Empfindlichkeit: Hygroscopic；Light sensitive
• Schmelzpunkt (°C): 184-186°C (lit.)(dec.)
• Molekulargewicht: 460.400 g/mol
• XLogP3: -1.600
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 460.148 Da
• Monoisotopic Mass: 460.148 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 1000.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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