WAY-608174 - 10mM in DMSO , CAS No.721426-84-2

CAS: 721426-84-2 Cat. No.: W425654 Summenformel: C₁₅H₁₃N₃O₄S Molekulargewicht: 331.35 PubChem CID: 135416746

GRADE & PURITY 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Übersicht

inhibitors of Mcl-1

Specifications

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

1.739

HBD-Zahl

2

Rotationsfähige Bindung

4

Namen und Kennungen

Kanonisches Lächeln

CC1=CC(=O)NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

IUPAC Name

6-[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]-4H-1,4-benzoxazin-3-one

InChIKey

JHGNYVAKPMYQKJ-UHFFFAOYSA-N

INCHI

1S/C15H13N3O4S/c1-8-4-13(20)18-15(16-8)23-7-11(19)9-2-3-12-10(5-9)17-14(21)6-22-12/h2-5H,6-7H2,1H3,(H,17,21)(H,16,18,20)

Isomere SMILES

CC1=CC(=O)NC(=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

PubChem CID

135416746

Molekulargewicht

331.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Benzoxazines
      • Subclass Benzoxazinones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Benzoxazines
• Subclass: Benzoxazinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoxazinones
• Alternative Parents: Benzomorpholines Aryl alkyl ketones Alkyl aryl ethers Alkylarylthioethers Pyrimidones Benzenoids Hydropyrimidines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Azacyclic compounds Oxacyclic compounds Sulfenyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoxazinone - Benzomorpholine - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Oxazinane - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Ketone - Lactam - Secondary carboxylic acid amide - Oxacycle - Ether - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group.
• 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

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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