N-3-oxo-octanoyl-L-Homoserine lactone - ≥97% , CAS No.147795-39-9

CAS: 147795-39-9 Cat. No.: N350215 Peso molecular: 241.28

GRADE & PURITY ≥97%

Synonyms

N-(beta-Oxooctan-1-oyl)-L-homoserine lactone | OOHL | SW222225-1 | AAI-1 | Conjugation factor 1, agrobacterium | N-beta-oxo-octanoyl-L-Homoserine lactone | 3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]octanamide | PD004806 | Spectrum4_000781 | 3-OXO-OCTANOIC

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

N-3-oxo-octanoyl-L-Homoserine lactone promotes the expression of the transcriptional activator (and LuxR homolog) TraR.

Specifications

Sinónimos

N-(beta-Oxooctan-1-oyl)-L-homoserine lactone | OOHL | SW222225-1 | AAI-1 | Conjugation factor 1, agrobacterium | N-beta-oxo-octanoyl-L-Homoserine lactone | 3-Oxo-N-[(3S)-tetrahydro-2-oxo-3-furanyl]octanamide | PD004806 | Spectrum4_000781 | 3-OXO-OCTANOIC

Especificaciones y pureza

≥97%

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.

Pureza

≥97%

Propiedades del producto

• pKa: pKa: 11.09 (Predicted)

Nombres e identificadores

• Pubchem Sid: 488187796
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187796
• Sonrisas canónicas: CCCCCC(=O)CC(=O)NC1CCOC1=O
• IUPAC Name: 3-oxo-N-[(3S)-2-oxooxolan-3-yl]octanamide
• InChIKey: FXCMGCFNLNFLSH-JTQLQIEISA-N
• INCHI: 1S/C12H19NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h10H,2-8H2,1H3,(H,13,15)/t10-/m0/s1
• Isómeros SMILES: CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
• WGK Alemania: 3
• Peso molecular: 241.28
• Reaxy-Rn: 18369654
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18369654&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 1,3-dicarbonyl compounds Tetrahydrofurans Secondary carboxylic acid amides Ketones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• 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 - Fatty acyl - 1,3-dicarbonyl compound - N-acyl-amine - Tetrahydrofuran - Carboxamide group - Carboxylic acid ester - Ketone - Secondary carboxylic acid amide - Lactone - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - 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: Fatty acyl homoserine lactones

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

Human immunodeficiency virus 1 (70413 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

phzR PhzR (76 Activities)

Discover Target: phzR

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 (~10 mg/ml), DMSO (~30 mg/ml), DMF (~30 mg/ml), and chloroform (50 mg/ml, clear, colorless).
• Índice de refracción: n20D1.49 (Predicted)
• Punto de ebullición (°C): ~490.1° C at 760 mmHg (Predicted)
• Punto de fusión (°C): 166.72° C (Predicted)
• Peso molecular: 241.280 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 241.131 Da
• Monoisotopic Mass: 241.131 Da
• Topological Polar Surface Area: 72.500 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 301.000
• 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