Lefamulin acetate (Xenleta) - Moligand™,≥98% , Bacterial 70S ribosome inhibitor, CAS No.1350636-82-6, Bacterial 70S ribosome inhibitor

CAS: 1350636-82-6 Cat. No.: L412984 Peso molecular: 567.78 Número EC: 695-920-8 PubChem CID: 86346053

GRADE & PURITY Moligand™, ≥98%

Synonyms

BC-3781 acetate | DTXSID801027897 | AT18250 | Lefamulinacetate | Q27279882 | D11632 | MS-30273 | Lefamulin (acetate) | BC-3781.Ac | AKOS040733589 | 1350636-82-6 | Lefamulin acetate (Xenleta) | acetic acid;[(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Lefamulin acetate (Xenleta) Lefamulin acetate (Xenleta, BC-3781 acetate) is a pleuromutilin antibiotic for community-acquired bacterial pneumonia (CABP) treatment. Lefamulin acetate inhibits protein synthesis by binding to the peptidyl transferase center of the 50S bacterial ribosome , thus preventing the binding of transfer RNA for peptide transfer.

Specifications

Sinónimos

BC-3781 acetate | DTXSID801027897 | AT18250 | Lefamulinacetate | Q27279882 | D11632 | MS-30273 | Lefamulin (acetate) | BC-3781.Ac | AKOS040733589 | 1350636-82-6 | Lefamulin acetate (Xenleta) | acetic acid;[(1S, 2R, 3S, 4S, 6R, 7R, 8R, 14R)-4-ethenyl-3-hydroxy-2,

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Lefamulin acetate (Xenleta, BC-3781 acetate) is a pleuromutilin antibiotic for community-acquired bacterial pneumonia (CABP) treatment. Lefamulin acetate inhibits protein synthesis by binding to the peptidyl transferase center of the 50S bacterial ribosom

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Bacterial 70S ribosome inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 0.083
• Recuento HBD: 3
• Enlace rotable: 6

Nombres e identificadores

• Pubchem Sid: 504772494
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772494
• Sonrisas canónicas: CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC4CCC(CC4O)N)C.CC(=O)O
• IUPAC Name: acetic acid;[(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,2R,4R)-4-amino-2-hydroxycyclohexyl]sulfanylacetate
• InChIKey: WSMXIQXWHPSVDE-ZPJPNJFZSA-N
• INCHI: 1S/C28H45NO5S.C2H4O2/c1-6-26(4)14-22(34-23(32)15-35-21-8-7-18(29)13-20(21)31)27(5)16(2)9-11-28(17(3)25(26)33)12-10-19(30)24(27)28;1-2(3)4/h6,16-18,20-22,24-25,31,33H,1,7-15,29H2,2-5H3;1H3,(H,3,4)/t16-,17+,18-,20-,21-,22-,24+,25+,26-,27+,28+;/m1./s1
• Isómeros 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)CS[C@@H]4CC[C@H](C[C@H]4O)N)C.CC(=O)O
• PubChem CID: 86346053
• Peso molecular: 567.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Diterpenoids
        • Level5 Mutilane diterpenoids
          • Level6 Mutilin derivatives
            • Level7 Pleuromutilin and derivatives

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Diterpenoids
• Intermediate Tree Nodes: Mutilane diterpenoids - Mutilin derivatives
• Direct Parent: Pleuromutilin and derivatives
• Alternative Parents: Cyclohexylamines Cyclohexanols Ketones Cyclic alcohols and derivatives Carboxylic acid esters Amino acids and derivatives Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Pleuromutilin - Cyclohexanol - Cyclohexylamine - Cyclic alcohol - Amino acid or derivatives - Carboxylic acid ester - Ketone - Secondary alcohol - Carboxylic acid derivative - Carboxylic acid - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic nitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Alcohol - Aliphatic homopolycyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 100 mg/mL (176.12 mM); Water: 100 mg/mL (176.12 mM); Ethanol: 100 mg/mL (176.12 mM)
• DMSO (mg/ml) Solubilidad máxima: 100
• DMSO (mM) Solubilidad máxima: 176.124555285498
• Agua (mg/ml) Solubilidad máxima: 100
• Agua (mM) Solubilidad máxima: 176.124555285498
• Peso molecular: 567.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 567.323 Da
• Monoisotopic Mass: 567.323 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 882.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 11
• 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: 2

XLogP3