Valnemulina HCl - ≥95% , CAS No.133868-46-9

CAS: 133868-46-9 Cat. No.: V129592 Peso molecular: 601.28 Número EC: 685-606-9 PubChem CID: 60195218

GRADE & PURITY ≥95%

Synonyms

DTXSID30158407 | Ácido acético, 2-[[2-[(2R)-2-amino-3-metil-1-oxobutil]amino]-1,1-dimetiletil]tio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-etildecahidro-5-hidroxi-4,6,9,10-tetrametil-1-oxo-3a,9-propano-3aH-ciclopentacicloocteno-8-il éster, clorhidrato (1

Storage

Conservar a -20°C

Shipped In

Hielera + almohadillas de hielo

Descripción general

La valnemulina HCl es un agente bacteriostático de amplio espectro que inhibe la síntesis de proteínas en las bacterias al unirse al componente peptidil transferasa de la subunidad 50S de los ribosomas.
Es un antibiótico para trastornos gastrointestinales que actúa como inhibidor de la síntesis proteica

Specifications

Sinónimos

DTXSID30158407 | Ácido acético, 2-[[2-[(2R)-2-amino-3-metil-1-oxobutil]amino]-1, 1-dimetiletil]tio]-, (3aS, 4R, 5S, 6S, 8R, 9R, 9aR, 10R)-6-etildecahidro-5-hidroxi-4, 6, 9, 10-tetrametil-1-oxo-3a, 9-propano-3aH-ciclopentacicloocteno-8-il éster, clorhidrato (1

Especificaciones y pureza

≥95%

Mecanismos bioquímicos y fisiológicos

El clorhidrato de valnemulina es una sal derivada de la valnemulina, y es un antibiótico de amplio espectro utilizado para controlar las infecciones gastrointestinales. La valnemulina inhibe la síntesis de proteínas al unirse al dominio V del ARN 23S. La

Condiciones de almacenamiento de almacenamiento

Conservar a -20°C

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. No obstante, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1CCC23CCC(=O)C2C1(C(CC(C(C3C)O)(C)C=C)OC(=O)CSC(C)(C)CNC(=O)C(C(C)C)N)C.Cl
• 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-[1-[[(2R)-2-amino-3-methylbutanoyl]amino]-2-methylpropan-2-yl]sulfanylacetate;hydrochloride
• InChIKey: MFBPRQKHDIVLOJ-AFFLPQGKSA-N
• INCHI: 1S/C31H52N2O5S.ClH/c1-10-29(8)15-22(38-23(35)16-39-28(6,7)17-33-27(37)24(32)18(2)3)30(9)19(4)11-13-31(20(5)26(29)36)14-12-21(34)25(30)31;/h10,18-20,22,24-26,36H,1,11-17,32H2,2-9H3,(H,33,37);1H/t19-,20+,22-,24-,25+,26+,29-,30+,31+;/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)CSC(C)(C)CNC(=O)[C@@H](C(C)C)N)C.Cl
• PubChem CID: 60195218
• Peso molecular: 601.28

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: Valine and derivatives Alpha amino acid amides N-acyl amines Secondary carboxylic acid amides Secondary alcohols Ketones Carboxylic acid esters Sulfenyl compounds Monocarboxylic acids and derivatives Dialkylthioethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Pleuromutilin - Valine or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Fatty amide - Fatty acyl - N-acyl-amine - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Secondary alcohol - Carboxylic acid derivative - Dialkylthioether - Monocarboxylic acid or derivatives - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrochloride - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Primary amine - 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

Objetivos asociados (no humanos)

Pasteurella multocida (1166 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Enterococcus faecium (13803 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO 100 mg/mL Water 100 mg/mL Ethanol 100 mg/mL
• Peso molecular: 601.300 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 10
• Exact Mass: 600.336 Da
• Monoisotopic Mass: 600.336 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 969.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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

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