Adelmidrol - ≥98% , CAS No.1675-66-7

CAS: 1675-66-7 Cat. No.: A413515 Fórmula: C₁₃H₂₆N₂O₄ Peso molecular: 274.36

GRAU & PUREZA ≥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

Visão geral

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

Especificações

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

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

ACTIVATOR

Pureza

≥98%

Propriedades do produto

ALogP

-0.001

hba_count

2

Contagem HBD

4

Ligação rotativa

12

Nomes e identificadores

Pubchem Sid

488188500

Pubchem Sid Url

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

Sorrisos canónicos

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)

SMILES isoméricas

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
    • 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
• Descrição: 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

Alvos associados (não 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 ação

Propriedades químicas e físicas

• DMSO (mg/mL) Solubilidade máxima: 55
• DMSO (mM) Solubilidade máxima: 200.466540311999
• Água (mg/mL) Solubilidade máxima: 55
• Água (mM) Solubilidade 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