Retapamulin - Moligand™, ≥99% , 70S ribosome inhibitor, CAS No.224452-66-8, 70S ribosome inhibitor

CAS: 224452-66-8 Cat. No.: R125875 Summenformel: C₃₀H₄₇NO₄S Molekulargewicht: 517.76 EG-Nummer: 639-491-7 PubChem CID: 6918462

GRADE & PURITY Moligand™, ≥99%

Synonyms

DTXSID30181492 | HY-17010 | Altargo | RETAPAMULIN [MI] | RETAPAMULIN [INN] | (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ylsulfanyl)acetic acid 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinylperhydro-3a,9-propanocyclopentacyclooct

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Retapamulin is a topical antibiotic, which binds to both E. coli and S. aureus ribosomes with similar potencies with Kd of 3 nM.
A broad spectrum antibiotic with no cross resistance to existing classes

Specifications

Synonyme

DTXSID30181492 | HY-17010 | Altargo | RETAPAMULIN [MI] | RETAPAMULIN [INN] | (3aS,4R,5S,6S,8R,9R,9aR,10R)-2-(exo-8-Methyl-8-azabicyclo[3.2.1]octan-3-ylsulfanyl)acetic acid 5-hydroxy-4,6,9,10-tetramethyl-1-oxo-6-vinylperhydro-3a,9-propanocyclopentacyclooct

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

Retapamulin(SB-275833) is a topical antibiotic developed by GlaxoSmithKline. Retapamulin(SB-275833) is the first drug in the new class of pleuromutilin antibiotics to be approved for human use.Retapamulin(SB-275833) is marketed as an ointment under the br

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

70S ribosome inhibitor

Reinheit

≥99%

Produkteigenschaften

• ALogP: 6.1

Namen und Kennungen

• Pubchem Sid: 504764371
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764371
• Kanonisches Lächeln: CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CC5CCC(C4)N5C)C
• IUPAC Name: [(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]sulfanyl]acetate
• InChIKey: STZYTFJPGGDRJD-FJJJPKKESA-N
• INCHI: 1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29+,30+/m1/s1
• Isomere SMILES: C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1([C@@H](C[C@@]([C@H]([C@@H]3C)O)(C)C=C)OC(=O)CSC4C[C@H]5CC[C@@H](C4)N5C)C
• PubChem CID: 6918462
• Molekulargewicht: 517.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Klasse Prenol lipids
      • Subclass Diterpenoids
        • Ebene5 Mutilane diterpenoids
          • Ebene6 Mutilin derivatives
            • Ebene7 Pleuromutilin and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Klasse: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Mutilane diterpenoids - Mutilin derivatives
• Direct Parent: Pleuromutilin and derivatives
• Alternative Parents: Tropane alkaloids Piperidines N-alkylpyrrolidines Trialkylamines Secondary alcohols Ketones Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Pleuromutilin - Tropane alkaloid - Piperidine - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Thioether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Monocarboxylic acid or derivatives - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Aliphatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pleuromutilin and derivatives. These are mutilins with a hydroxyacetate derivative attached to the C8 carbon atom of the cyclopenta[8]annulene moiety.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO 104 mg/mL ;Water <1 mg/mL;Ethanol 104 mg/mL
• Molekulargewicht: 517.799 g/mol
• XLogP3: 6.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 517.323 Da
• Monoisotopic Mass: 517.323 Da
• Topological Polar Surface Area: 92.100 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 895.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 10
• 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