ABBV-4083 , CAS No.1809266-03-2

CAS: 1809266-03-2 Cat. No.: A1419690 PubChem CID: 92045060

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

ABBV-4083 is an analog of Tylosin A that has potent anti- Wolbachia and anti-filarial activity.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)OC3CC(C(C(O3)C)OCC4=CC=C(C=C4)F)(C)O)N(C)C)O)CC=O)C)C)COC5C(C(C(C(O5)C)O)OC)OC
• IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5S,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-5-[(4-fluorophenyl)methoxy]-4-hydroxy-4,6-dimethyloxan-2-yl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde
• InChIKey: FVQGMXUKQAXPIP-JLTQGABHSA-N
• INCHI: 1S/C53H82FNO17/c1-13-40-36(27-66-52-49(64-12)48(63-11)44(60)31(5)68-52)22-28(2)14-19-38(57)29(3)23-35(20-21-56)46(30(4)39(58)24-41(59)70-40)72-51-45(61)43(55(9)10)47(32(6)69-51)71-42-25-53(8,62)50(33(7)67-42)65-26-34-15-17-37(54)18-16-34/h14-19,21-22,29-33,35-36,39-40,42-52,58,60-62H,13,20,23-27H2,1-12H3/b19-14+,28-22+/t29-,30+,31-,32-,33+,35+,36-,39-,40-,42+,43-,44-,45-,46-,47-,48-,49-,50+,51+,52-,53-/m1/s1
• Isomeric SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OCC4=CC=C(C=C4)F)(C)O)N(C)C)O)CC=O)C)\C)CO[C@H]5[C@@H]([C@@H]([C@@H]([C@H](O5)C)O)OC)OC
• Alternate CAS: 1809266-03-2
• PubChem CID: 92045060

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 Disaccharides O-glycosyl compounds Benzylethers Fluorobenzenes Aryl fluorides Oxanes Alpha-hydrogen aldehydes Tertiary alcohols 1,2-aminoalcohols Trialkylamines Amino acids and derivatives Secondary alcohols Carboxylic acid esters Cyclic ketones Lactones Oxacyclic compounds Dialkyl ethers Acetals Monocarboxylic acids and derivatives Organopnictogen compounds Organofluorides Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Benzylether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Tertiary alcohol - Alpha-hydrogen aldehyde - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxylic acid ester - Ketone - Lactone - Cyclic ketone - Ether - Monocarboxylic acid or derivatives - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Acetal - Organohalogen compound - Alcohol - Organopnictogen compound - Organofluoride - Hydrocarbon derivative - Carbonyl group - Amine - Organonitrogen compound - Organic nitrogen compound - Aldehyde - Organic oxide - Aromatic 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