Adelmidrol - ≥98% , CAS No.1675-66-7

CAS: 1675-66-7 Cat. No.: A413515 Formule: C₁₃H₂₆N₂O₄ Poids moléculaire: 274.36

QUALITÉ & PURETÉ ≥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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

ACTIVATOR

Pureté

≥98%

Propriétés du produit

ALogP

-0.001

hba_count

2

Nombre de HBD

4

Liaison rotative

12

Noms et identifiants

Pubchem Sid

488188500

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488188500

Sourires canoniques

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)

Isomères SMILES

C(CCCC(=O)NCCO)CCCC(=O)NCCO

Poids moléculaire

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
    • Classe Organonitrogen compounds
      • Subclass Amines
        • Level5 Alkanolamines
          • Level6 1,2-aminoalcohols
            • Level7 N-acylethanolamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: 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
• Description: 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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 55
• DMSO (mM) Solubilité maximale: 200.466540311999
• Eau (mg/mL) Solubilité maximale: 55
• Eau (mM) Solubilité maximale: 200.466540311999
• Poids moléculaire: 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