Adelmidrol - ≥98% , CAS No.1675-66-7

CAS: 1675-66-7 Cat. No.: A413515 Peso molecular: 274.36

GRADE & PURITY ≥98%

Synonyms

EX-A1239 | 3-(Dibutylamino)-1-(1,3-dichlor-6-(trifluormethyl)-9-phenanthryl)propanol | C73226 | N1,N9-Bis(2-hydroxyethyl)nonanediamide | SR-01000944279 | BCP24910 | AKOS028111150 | AS-56183 | Adelmidrol | NSC27132 | NSC-27132 | 1BUC3685QU | CCG-213729 | A

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Product description：
Adelmidrol exerts important anti-inflammatory effects that are partly dependent on PPARγ. Adelmidrol reduces NF-κB translocation, and COX-2 expression.

Specifications

Sinónimos

EX-A1239 | 3-(Dibutylamino)-1-(1, 3-dichlor-6-(trifluormethyl)-9-phenanthryl)propanol | C73226 | N1, N9-Bis(2-hydroxyethyl)nonanediamide | SR-01000944279 | BCP24910 | AKOS028111150 | AS-56183 | Adelmidrol | NSC27132 | NSC-27132 | 1BUC3685QU | CCG-213729 | A

Especificaciones y pureza

≥98%

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

≥98%

Propiedades del producto

• ALogP: -0.001
• hba_count: 2
• Recuento HBD: 4
• Enlace rotable: 12

Nombres e identificadores

• Pubchem Sid: 488188500
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488188500
• Sonrisas canónicas: C(CCCC(=O)NCCO)CCCC(=O)NCCO
• IUPAC Name: N,N'-bis(2-hydroxyethyl)nonanediamide
• InChIKey: PAHZPHDAJQIETD-UHFFFAOYSA-N
• INCHI: 1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)
• Isómeros SMILES: C(CCCC(=O)NCCO)CCCC(=O)NCCO
• Peso molecular: 274.36
• Reaxy-Rn: 1798605
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1798605&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols
            • Level7 N-acylethanolamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Alkanolamines - 1,2-aminoalcohols
• Direct Parent: N-acylethanolamines
• Alternative Parents: N-acyl amines Secondary carboxylic acid amides Primary alcohols Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: N-acylethanolamine - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Alcohol - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acylethanolamines. These are compounds containing an N-acyethanolamine moiety, which is characterized by an acyl group is linked to the nitrogen atom of ethanolamine.
• 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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mecanismos de acción

Propiedades químicas y físicas

• DMSO (mg/ml) Solubilidad máxima: 55
• DMSO (mM) Solubilidad máxima: 200.466540311999
• Agua (mg/ml) Solubilidad máxima: 55
• Agua (mM) Solubilidad máxima: 200.466540311999
• Peso molecular: 274.360 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 274.189 Da
• Monoisotopic Mass: 274.189 Da
• Topological Polar Surface Area: 98.700 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 223.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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