N-decanoil-L-homoserina lactona - Moligand™,≥96% , CAS No.177315-87-6

CAS: 177315-87-6 Cat. No.: N347574 Peso molecular: 255.35

GRADE & PURITY Moligand™, ≥96%

Synonyms

BDBM50351509 | Decanoyl-L-homoserine lactone | SCHEMBL3140223 | J-011268 | MFCD11113140 | AS-67956 | N-[(3S)-2-oxooxolan-3-yl]decanamide | Q27461120 | N-Decanoyl-L-homoserine lactone, >=96% (HPLC) | N-Decanoyl-L-Homoserine lactone | HY-136409 | (S)-N-(2-o

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

La N-decanoil-L-homoserina lactona es una pequeña molécula de señalización difusible que interviene en la detección del quórum, controlando así la expresión génica y afectando al metabolismo celular. Las aplicaciones de esta molécula incluyen la regulación de la virulencia y las exoproteasas.

Specifications

Sinónimos

BDBM50351509 | Decanoyl-L-homoserine lactone | SCHEMBL3140223 | J-011268 | MFCD11113140 | AS-67956 | N-[(3S)-2-oxooxolan-3-yl]decanamide | Q27461120 | N-Decanoyl-L-homoserine lactone, >=96% (HPLC) | N-Decanoyl-L-Homoserine lactone | HY-136409 | (S)-N-(2-o

Especificaciones y pureza

Moligand™, ≥96%

Mecanismos bioquímicos y fisiológicos

La N-DECANOIL L-l-proserina lactona es un miembro de la familia de la N-ACYL-PROSERINA lactona. La N-ACILHOMOSERINA lactona (Ahl) regula la expresión génica en gramnegativos como la ESCHERICHIA coli (Echerichia) y la Salmonella, y está implicada en la det

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504765274
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765274
• Sonrisas canónicas: CCCCCCCCCC(=O)NC1CCOC1=O
• IUPAC Name: N-[(3S)-2-oxooxolan-3-yl]decanamide
• InChIKey: TZWZKDULKILUPV-LBPRGKRZSA-N
• INCHI: 1S/C14H25NO3/c1-2-3-4-5-6-7-8-9-13(16)15-12-10-11-18-14(12)17/h12H,2-11H2,1H3,(H,15,16)/t12-/m0/s1
• Isómeros SMILES: CCCCCCCCCC(=O)N[C@H]1CCOC1=O
• Peso molecular: 255.35
• Reaxy-Rn: 1644700
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1644700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids and derivatives
• Alternative Parents: Alpha amino acid esters Acyl-L-homoserine lactones N-acyl amines Gamma butyrolactones Oxolanes Secondary carboxylic acid amides Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Acyl-homoserine lactone - Acyl-l-homoserine lactone - Fatty amide - Gamma butyrolactone - N-acyl-amine - Fatty acyl - Oxolane - Secondary carboxylic acid amide - Lactone - Carboxylic acid ester - Carboxamide group - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
• 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)

Mus musculus (284745 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

luxR Transcriptional activator protein luxR (400 Activities)

Discover Target: luxR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

traR Transcriptional activator protein traR (147 Activities)

Discover Target: traR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

lasR Transcriptional activator protein lasR (432 Activities)

Discover Target: lasR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol (~5 mg/ml), DMSO (~20 mg/ml), DMF (~30 mg/ml), water (10 mg/ml at 25° C), and 1: 4 DMF: PBS (pH 7.2) (~0.2 mg/ml).
• Sensibilidad: Light sensitive
• Índice de refracción: n20D1.48 (Predicted)
• Punto de ebullición (°C): ~466.1° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 166.93° C (Predicted)
• Peso molecular: 255.350 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 255.183 Da
• Monoisotopic Mass: 255.183 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 266.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Referencias

1. Fenglin Zhang, Jinming Gu, Yibing Wang, Qing Qiu, Yue Yu, Xuejian Sun, Menghan Chang, Dandan Zhou, Hongliang Huo, Kejian Tian.  (2024)  Regulatory mechanism by which exogenous AHLs enhance the degradation of bisphenol A by Pseudomonas asiatica P1.  Environmental Technology & Innovation,      [PMID:] [10.1016/j.eti.2024.103963]