Quinol 1h - ≥99% , CAS No.840474-95-5

CAS: 840474-95-5 Cat. No.: Q274787 Molecular Weight: 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

Overview

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

Specifications

Synonyms

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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 .

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Note

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric 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
• Molecular Weight: 383.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Associated Targets(Human)

ACHN (49357 Activities)

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MRC5 (9203 Activities)

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

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A549 (127892 Activities)

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Associated Targets(non-human)

Trypanosoma brucei (78846 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO to 100 mM