WAY-326766 - ≥98% , CAS No.853138-67-7

CAS: 853138-67-7 Cat. No.: W417205 Formule: C₂₁H₂₃N₃O₅ Poids moléculaire: 397.42 PubChem CID: 3242886

GRADE & PURITY ≥98%

Synonyms

2-Acetamido-N-(2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxo-1-phenylethyl)-N-methylacetamide | N~2~-acetyl-N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N~1~-methylglycinamide | MLS000086431 | DTXSID201128572 | WAY-326766 |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

increasing ion transport by mutant-CFTR; altering the lifespan of a eukaryotic organism;

Specifications

Synonymes

2-Acetamido-N-(2-((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)amino)-2-oxo-1-phenylethyl)-N-methylacetamide | N~2~-acetyl-N~1~-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-1-phenylethyl]-N~1~-methylglycinamide | MLS000086431 | DTXSID201128572 | WAY-326766 |

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.

Pureté

≥98%

Propriétés du produit

ALogP

0.78

Nombre de HBD

2

Liaison rotative

6

Noms et identifiants

Pubchem Sid

504762504

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504762504

Sourires canoniques

CC(=O)NCC(=O)N(C)C(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCCO3

IUPAC Name

2-[(2-acetamidoacetyl)-methylamino]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-phenylacetamide

InChIKey

ICVGWGSZTAXAPD-UHFFFAOYSA-N

INCHI

1S/C21H23N3O5/c1-14(25)22-13-19(26)24(2)20(15-6-4-3-5-7-15)21(27)23-16-8-9-17-18(12-16)29-11-10-28-17/h3-9,12,20H,10-11,13H2,1-2H3,(H,22,25)(H,23,27)

Isomères SMILES

CC(=O)NCC(=O)N(C)C(C1=CC=CC=C1)C(=O)NC2=CC3=C(C=C2)OCCO3

PubChem CID

3242886

Poids moléculaire

397.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Dipeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Dipeptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Phenylacetamides Benzo-1,4-dioxanes N-arylamides Alkyl aryl ethers Para dioxins Tertiary carboxylic acid amides Acetamides Secondary carboxylic acid amides Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-dipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzo-1,4-dioxane - Benzodioxane - Phenylacetamide - N-arylamide - Alkyl aryl ether - Monocyclic benzene moiety - Para-dioxin - Benzenoid - Acetamide - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
• 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 (humaines)

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mM) Solubilité maximale: 10
• Poids moléculaire: 397.400 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 397.164 Da
• Monoisotopic Mass: 397.164 Da
• Topological Polar Surface Area: 97.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 593.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1