Tildipirosin - 10mM in DMSO , CAS No.328898-40-4

CAS: 328898-40-4 Cat. No.: T423358 Summenformel: C₄₁H₇₁N₃O₈ Molekulargewicht: 734.01 EG-Nummer: 640-368-5 PubChem CID: 24860548

QUALITÄT & REINHEIT 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Tildipirosin is a 16-membered ring, tribasic and semi-synthetic macrolide antibiotic.

Spezifikationen

Synonyme

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)-

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

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

Namen und Kennungen

Pubchem Sid

528767504

Kanonisches Lächeln

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

Isomere 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

Molekulargewicht

734.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Ebene5 Aminosaccharides
          • Ebene6 Aminoglycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 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