Azaerythromycin A - 10mM in DMSO , CAS No.76801-85-9

CAS: 76801-85-9 Cat. No.: A425885 Molecular Weight: 734.96 EC Number: 616-385-9 PubChem CID: 9810601

GRADE & PURITY 10mM in DMSO

Synonyms

desmethyl-azithromycin | 2-ethyl-3,4,10-trihydroxy-3,5,8,10,12,14-hexamethyl-15-oxo-11-{[3,4,6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methylhexopyranoside | AZITHROMYCIN IMPURITY A [EP IMPU

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

9-Deoxo-9a-aza-9a-homo Erythromycin A Desmethyl Azithromycin is a novel intermediate of Azithromycin which acts as an antibiotic.

Specifications

Synonyms

desmethyl-azithromycin | 2-ethyl-3, 4, 10-trihydroxy-3, 5, 8, 10, 12, 14-hexamethyl-15-oxo-11-{[3, 4, 6-trideoxy-3-(dimethylamino)hexopyranosyl]oxy}-1-oxa-6-azacyclopentadecan-13-yl 2, 6-dideoxy-3-C-methyl-3-O-methylhexopyranoside | AZITHROMYCIN IMPURITY A [EP IMPU

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CCC1C(C(C(NCC(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O
• IUPAC Name: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-3,4,10-trihydroxy-13-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,8,10,12,14-hexamethyl-1-oxa-6-azacyclopentadecan-15-one
• InChIKey: HRKNNHYKWGYTEN-HOQMJRDDSA-N
• INCHI: 1S/C37H70N2O12/c1-14-26-37(10,45)30(41)23(6)38-18-19(2)16-35(8,44)32(51-34-28(40)25(39(11)12)15-20(3)47-34)21(4)29(22(5)33(43)49-26)50-27-17-36(9,46-13)31(42)24(7)48-27/h19-32,34,38,40-42,44-45H,14-18H2,1-13H3/t19-,20-,21+,22-,23-,24+,25+,26-,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1
• Isomeric SMILES: CC[C@@H]1[C@@]([C@@H]([C@H](NC[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)O)(C)O
• PubChem CID: 9810601
• Molecular Weight: 734.96

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: Macrolides and analogues O-glycosyl compounds Oxanes Monosaccharides Tertiary alcohols Trialkylamines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Lactones Polyols Acetals Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Dialkyl ethers Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Glycosyl compound - O-glycosyl compound - Monosaccharide - Oxane - Tertiary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Lactone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Acetal - Organoheterocyclic compound - Secondary amine - Polyol - Azacycle - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Monocarboxylic acid or derivatives - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Amine - Organonitrogen compound - Aliphatic heteromonocyclic 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

Associated Targets(non-human)

Bacillus subtilis (32866 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Toxoplasma gondii (4585 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Melt Point(°C): 136 - 138°C
• Molecular Weight: 735.000 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 734.493 Da
• Monoisotopic Mass: 734.493 Da
• Topological Polar Surface Area: 189.000 Ų
• Heavy Atom Count: 51
• Formal Charge: 0
• Complexity: 1120.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 18
• 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