Benzarone - ≥99% , CAS No.1477-19-6

CAS: 1477-19-6 Cat. No.: B1421263 分子式: C₁₇H₁₄O₃ 分子量: 266.299 EC番号: 216-026-2 PubChem CID: 255968

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

Benzarone (Fragivix) is an oral inhibitor of human urate transporter 1 (hURAT1) with an IC 50 value of 2.8 μM, and it also acts as an uncoupler of oxidative phosphorylation. Benzarone can cause liver damage and promote cell apoptosis and necrosis. Benzarone can be used to lower serum uric acid levels and for research in vascular diseases.

Specifications

仕様と純度

≥99%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

ACTIVATOR

純度

≥99%

製品の性質

ALogP

4.3

名前と識別子

カノニカル・スマイル

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O

IUPAC Name

(2-ethyl-1-benzofuran-3-yl)-(4-hydroxyphenyl)methanone

InChIKey

RFRXIWQYSOIBDI-UHFFFAOYSA-N

INCHI

1S/C17H14O3/c1-2-14-16(13-5-3-4-6-15(13)20-14)17(19)11-7-9-12(18)10-8-11/h3-10,18H,2H2,1H3

異性体SMILES

CCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC=C(C=C3)O

PubChem CID

255968

分子量

266.299

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Aryl-phenylketones
• Alternative Parents: Benzofurans Benzoyl derivatives 3-aroylfurans 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl-phenylketone - Benzofuran - 3-aroylfuran - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Oxacycle - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
• External Descriptors: 1-benzofurans

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