Quinol 1h - ≥99% , CAS No.840474-95-5

CAS: 840474-95-5 Cat. No.: Q274787 Formula: C₂₀H₁₄FNO₄S Peso molecolare: 383.4 PubChem CID: 9929913

GRADE & PURITY ≥99%

Synonyms

4-[1-(Benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Panoramica

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinonimi

4-[1-(Benzenesulfonyl)-6-fluoro-1H-indol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one

Specifiche e purezza

≥99%

Meccanismi biochimici e fisiologici

Potent, selective antitumor agent. Antitumor activity observed in HCT 116 (GI 50 = 40 nM) and HT 29 (GI 50 = 380 nM), and in breast cancer cell lines. Potent inhibitory effect in NCI 60 cells (GI 50 =16 nM and LC 50 = 2.24 µM). Active in vitro .

Condizioni di conservazione di stoccaggio

Store at -20°C,Desiccated

Spedito in

Ice chest + Ice pads

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purezza

≥99%

Nomi e identificatori

• Sorrisi canonici: C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)F)C4(C=CC(=O)C=C4)O
• IUPAC Name: 4-[1-(benzenesulfonyl)-6-fluoroindol-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
• InChIKey: NUKLBNRXGJLHIA-UHFFFAOYSA-N
• INCHI: 1S/C20H14FNO4S/c21-15-7-6-14-12-19(20(24)10-8-16(23)9-11-20)22(18(14)13-15)27(25,26)17-4-2-1-3-5-17/h1-13,24H
• Isomeri SMILES: C1=CC=C(C=C1)S(=O)(=O)N2C(=CC3=C2C=C(C=C3)F)C4(C=CC(=O)C=C4)O
• PubChem CID: 9929913
• Peso molecolare: 383.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzenesulfonamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Indoles Benzenesulfonyl compounds Substituted pyrroles Aryl fluorides Tertiary alcohols Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Cyclic ketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzenesulfonamide - Indole - Indole or derivatives - Benzenesulfonyl group - Aryl fluoride - Aryl halide - Substituted pyrrole - Tertiary alcohol - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrrole - Cyclic ketone - Ketone - Azacycle - Organoheterocyclic compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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)

ACHN (49357 Activities)

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

MRC5 (9203 Activities)

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

Panel NCI-60 (60 carcinoma cell lines) (1088 Activities)

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

A549 (127892 Activities)

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Obiettivi associati (non umani)

Trypanosoma brucei (78846 Activities)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO to 100 mM

Domande frequenti

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 840474-95-5, the molecular formula is C20H14FNO4S, and the molecular weight is 383.4 g/mol. InChIKey NUKLBNRXGJLHIA-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.