WAY-272124 - ≥98% , CAS No.694469-31-3

CAS: 694469-31-3 Cat. No.: W418300 Formule: C₂₄H₂₃N₃O₄ Poids moléculaire: 417.45712 PubChem CID: 1084380

GRADE & PURITY ≥98%

Synonyms

3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Antitumor histone acetyl transferase inhibitors; modulate the activity of a protein having acetyltransferase or deacetylase activity; sirtuin modulators; sirtuin modulators;

Specifications

Synonymes

3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide

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

3.739

Nombre de HBD

1

Liaison rotative

6

Noms et identifiants

Pubchem Sid

504760377

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760377

Sourires canoniques

CC1=CC=CN2C1=NC(=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

IUPAC Name

3,4,5-trimethoxy-N-[3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide

InChIKey

FIRLMVXVEXHHQH-UHFFFAOYSA-N

INCHI

1S/C24H23N3O4/c1-15-7-6-10-27-14-19(26-23(15)27)16-8-5-9-18(11-16)25-24(28)17-12-20(29-2)22(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)

Isomères SMILES

CC1=CC=CN2C1=NC(=C2)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC

PubChem CID

1084380

Poids moléculaire

417.45712

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Phenylimidazoles Benzamides Imidazo[1,2-a]pyridines Imidazopyridines Anisoles Benzoyl derivatives Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Methylpyridines N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzanilide - 5-phenylimidazole - 4-phenylimidazole - Benzamide - Imidazo[1,2-a]pyridine - Benzoic acid or derivatives - Imidazopyridine - Phenoxy compound - Anisole - Benzoyl - Methoxybenzene - Phenol ether - Alkyl aryl ether - Methylpyridine - N-substituted imidazole - Pyridine - Azole - Imidazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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)

SLC2A1 Tchem Glucose transporter (14755 Activities)

Discover Target: SLC2A1

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

HepG2 (196354 Activities)

Explore this target

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

Cibles associées (non humaines)

Plasmodium falciparum (966862 Activities)

Explore this target

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: 417.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 417.169 Da
• Monoisotopic Mass: 417.169 Da
• Topological Polar Surface Area: 74.100 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 591.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 694469-31-3, the molecular formula is C24H23N3O4, and the molecular weight is 417.45712 g/mol. InChIKey FIRLMVXVEXHHQH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.