WAY-272277 - ≥98% , CAS No.708995-11-3

CAS: 708995-11-3 Cat. No.: W418302 Summenformel: C₂₄H₂₃N₃O₄ Molekulargewicht: 417.5 PubChem CID: 983446

GRADE & PURITY ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

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

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

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

Reinheit

≥98%

Produkteigenschaften

• ALogP: 3.739
• HBD-Zahl: 1
• Rotationsfähige Bindung: 6

Namen und Kennungen

• Pubchem Sid: 488191697
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488191697
• Kanonisches Lächeln: CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
• IUPAC Name: 3,4,5-trimethoxy-N-[3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
• InChIKey: ZCNAQCKPWWPHDY-UHFFFAOYSA-N
• INCHI: 1S/C24H23N3O4/c1-15-8-9-27-14-19(26-22(27)10-15)16-6-5-7-18(11-16)25-24(28)17-12-20(29-2)23(31-4)21(13-17)30-3/h5-14H,1-4H3,(H,25,28)
• Isomere SMILES: CC1=CC2=NC(=CN2C=C1)C3=CC(=CC=C3)NC(=O)C4=CC(=C(C(=C4)OC)OC)OC
• PubChem CID: 983446
• Molekulargewicht: 417.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Aromatic anilides
          • Ebene6 Benzanilides

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

Zugehörige Ziele (menschlich)

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)

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

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mM) Maximale Löslichkeit: 10
• Molekulargewicht: 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