Tildipirosin - ≥98% , CAS No.328898-40-4

CAS: 328898-40-4 Cat. No.: T329656 Molecular Weight: 734.01 EC Number: 640-368-5 PubChem CID: 24860548

GRADE & PURITY ≥98%

Synonyms

DTXSID70954546 | TILDIPIROSIN [EMA EPAR VETERINARY] | Zuprevo | Zuprevo (veterinary) | Tildipirosin | Tildipirosin (USAN/INN) | TILDIPIROSIN [GREEN BOOK] | KBioSS_002456 | IDS-NF-001 | TH 1165A FREE BASE | tildipirosine | (4R,5S,6S,7R,9R,11E,13E,15R,16R)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Tildiprosin is an antibiotic derived from a tylosin derivative by iodination and reaction with piperidine. The introduction of a third basic moiety into the tylosin core provides a wider spectrum of antibiotic action than the dibasic analogues such as tilmicosin, in particular good protection against|Pasteurella|in livestock. Tildipirosins interaction with the ribosomal site of action differs from that of tylosin and tilmicosin.

Specifications

Synonyms

DTXSID70954546 | TILDIPIROSIN [EMA EPAR VETERINARY] | Zuprevo | Zuprevo (veterinary) | Tildipirosin | Tildipirosin (USAN/INN) | TILDIPIROSIN [GREEN BOOK] | KBioSS_002456 | IDS-NF-001 | TH 1165A FREE BASE | tildipirosine | (4R, 5S, 6S, 7R, 9R, 11E, 13E, 15R, 16R)-

Specifications & Purity

≥98%

Source

Semi-synthetic

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504769882
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769882
• Canonical Smiles: CCC1C(C=C(C=CC(=O)C(CC(C(C(C(CC(=O)O1)O)C)OC2C(C(C(C(O2)C)O)N(C)C)O)CCN3CCCCC3)C)C)CN4CCCCC4
• IUPAC Name: (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-5,9,13-trimethyl-7-(2-piperidin-1-ylethyl)-15-(piperidin-1-ylmethyl)-1-oxacyclohexadeca-11,13-diene-2,10-dione
• InChIKey: HNDXPZPJZGTJLJ-UEJFNEDBSA-N
• INCHI: 1S/C41H71N3O8/c1-8-35-32(26-44-20-13-10-14-21-44)23-27(2)15-16-33(45)28(3)24-31(17-22-43-18-11-9-12-19-43)40(29(4)34(46)25-36(47)51-35)52-41-39(49)37(42(6)7)38(48)30(5)50-41/h15-16,23,28-32,34-35,37-41,46,48-49H,8-14,17-22,24-26H2,1-7H3/b16-15+,27-23+/t28-,29+,30-,31+,32-,34-,35-,37+,38-,39-,40-,41+/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)N(C)C)O)CCN3CCCCC3)C)\C)CN4CCCCC4
• PubChem CID: 24860548
• Molecular Weight: 734.01

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 Hexoses O-glycosyl compounds Piperidines Oxanes 1,2-aminoalcohols Amino acids and derivatives Carboxylic acid esters Cyclic ketones Trialkylamines Lactones Secondary alcohols Azacyclic compounds Acetals Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Aldehydes Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Aminoglycoside core - Macrolide - Hexose monosaccharide - O-glycosyl compound - Glycosyl compound - Monosaccharide - Oxane - Piperidine - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Lactone - Cyclic ketone - Ketone - Carboxylic acid ester - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Alcohol - Aldehyde - Organonitrogen compound - Amine - 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)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Streptococcus dysgalactiae (89 Activities)

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Cronobacter sakazakii (99 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in ethanol, methanol, DMF, and DMSO.
• Molecular Weight: 734.000 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 733.524 Da
• Monoisotopic Mass: 733.524 Da
• Topological Polar Surface Area: 132.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1170.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 12
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1