Adelmidrol - 10mM in DMSO , CAS No.1675-66-7

CAS: 1675-66-7 Cat. No.: A422076 Summenformel: C₁₃H₂₆N₂O₄ Molekulargewicht: 274.36

QUALITÄT & REINHEIT 10mM in DMSO

Synonyms

Adelmidrol|1675-66-7|N,N'-bis(2-hydroxyethyl)nonanediamide|Adelmidrol [INN]|AdelMitrol|NSC-27132|1BUC3685QU|UNII-1BUC3685QU|Nonanediamide, N,N'-bis(2-hydroxyethyl)-|ADELMIDROL [WHO-DD]|SCHEMBL636771|CHEMBL2105967|DTXSID10168302|BAA67566|BCP24910|EX-A1239|

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

Information

Adelmidrol is an analogue of palmitoylethanolamide (PEA) with anti-inflammatory activities.

Spezifikationen

Synonyme

Adelmidrol | 1675-66-7 | N,N'-bis(2-hydroxyethyl)nonanediamide | Adelmidrol [INN] | AdelMitrol | NSC-27132 | 1BUC3685QU | UNII-1BUC3685QU | Nonanediamide, N,N'-bis(2-hydroxyethyl)- | ADELMIDROL [WHO-DD] | SCHEMBL636771 | CHEMBL2105967 | DTXSID10168302 | BAA67566 | BCP24910 | EX-A1239 |

Spezifikationen & Reinheit

10mM in DMSO

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

ALogP

-0.001

hba_count

2

HBD-Zahl

4

Rotationsfähige Bindung

12

Namen und Kennungen

Pubchem Sid

528776297

Kanonisches Lächeln

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)

Isomere SMILES

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

Molekulargewicht

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
    • Klasse Organonitrogen compounds
      • Subclass Amines
        • Ebene5 Alkanolamines
          • Ebene6 1,2-aminoalcohols
            • Ebene7 N-acylethanolamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 55
• DMSO (mM) Maximale Löslichkeit: 200.466540311999
• Wasser (mg/ml) Maximale Löslichkeit: 55
• Wasser (mM) Maximale Löslichkeit: 200.466540311999
• Molekulargewicht: 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