WAY-273170 - ≥95% , CAS No.478247-52-8

CAS: 478247-52-8 Cat. No.: W418033 Formula: C₁₉H₁₃ClN₄O₂S Peso molecolare: 396.86 PubChem CID: 135468341

GRADE & PURITY ≥95%

Synonyms

6-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Myt1 Kinase Inhibitors

Specifications

Sinonimi

6-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 488202933
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488202933
• Sorrisi canonici: C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC(=N3)SCC(=O)C4=CC=C(C=C4)Cl
• IUPAC Name: 6-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
• InChIKey: JDKCAGQJNLGYHF-UHFFFAOYSA-N
• INCHI: 1S/C19H13ClN4O2S/c20-13-8-6-12(7-9-13)16(25)11-27-19-22-17-15(18(26)23-19)10-21-24(17)14-4-2-1-3-5-14/h1-10H,11H2,(H,22,23,26)
• Isomeri SMILES: C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC(=N3)SCC(=O)C4=CC=C(C=C4)Cl
• PubChem CID: 135468341
• Peso molecolare: 396.86

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpyrazoles Pyrazolo[3,4-d]pyrimidines Benzoyl derivatives Aryl alkyl ketones Hydroxypyrimidines Chlorobenzenes Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpyrazole - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Benzoyl - Aryl thioether - Aryl alkyl ketone - Chlorobenzene - Hydroxypyrimidine - Halobenzene - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl 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

Obiettivi associati (umani)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

DNMT1 Tclin DNA (cytosine-5)-methyltransferase 1 (978 Activities)

Discover Target: DNMT1

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

POLB Tchem DNA polymerase beta (23632 Activities)

Discover Target: POLB

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

PIN1 Tchem Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 (36611 Activities)

Discover Target: PIN1

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

FEN1 Tchem Flap endonuclease 1 (12055 Activities)

Discover Target: FEN1

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

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

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

POLH Tchem DNA polymerase eta (21678 Activities)

Discover Target: POLH

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

Obiettivi associati (non umani)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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Plasmodium falciparum (966862 Activities)

Explore this target

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 396.900 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 396.045 Da
• Monoisotopic Mass: 396.045 Da
• Topological Polar Surface Area: 102.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 603.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 478247-52-8, the molecular formula is C19H13ClN4O2S, and the molecular weight is 396.86 g/mol. InChIKey JDKCAGQJNLGYHF-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.