Anthrarufin - ≥85% , CAS No.117-12-4

CAS: 117-12-4 Cat. No.: A124340 Formula: C₁₄H₈O₄ Peso molecolare: 240.21 Beilstein Registry Number: 1881718 Numero EC: 204-175-6

GRADE & PURITY ≥85%

Synonyms

NCI60_041483 | Anthrarufin | 1,5-Dihydroxy-9,10-anthraquinone | Epitope ID:116190 | InChI=1/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16 | 9, 1,5-dihydroxy- | CCRIS 3150 | 1,5-Dihydroxyanthra-9,10-quinone # | 9,10-dihydroxy-1,5-a

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

NCI60_041483 | Anthrarufin | 1,5-Dihydroxy-9,10-anthraquinone | Epitope ID:116190 | InChI=1/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16 | 9, 1,5-dihydroxy- | CCRIS 3150 | 1,5-Dihydroxyanthra-9,10-quinone # | 9,10-dihydroxy-1,5-a

Specifiche e purezza

≥85%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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

Purezza

≥85%

Nomi e identificatori

• Pubchem Sid: 504751647
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751647
• Sorrisi canonici: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O
• IUPAC Name: 1,5-dihydroxyanthracene-9,10-dione
• InChIKey: JPICKYUTICNNNJ-UHFFFAOYSA-N
• INCHI: 1S/C14H8O4/c15-9-5-1-3-7-11(9)14(18)8-4-2-6-10(16)12(8)13(7)17/h1-6,15-16H
• Isomeri SMILES: C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O
• RTECS: CB6630000
• Peso molecolare: 240.21
• Beilstein: 1881718
• Reaxy-Rn: 1881718
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1881718&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Anthracenes
• Subclass: Anthraquinones
• Intermediate Tree Nodes: Not available
• Direct Parent: Anthraquinones
• Alternative Parents: Aryl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Vinylogous acid - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as anthraquinones. These are organic compounds containing either anthracene-9,10-quinone, 1,4-anthraquinone, or 1,2-anthraquinone.
• External Descriptors: dihydroxyanthraquinone

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solubility in water: Practically insoluble; Soluble in Alcohol,Ether,Benzene
• Punto di fusione (°C): 279 °C
• Peso molecolare: 240.210 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 240.042 Da
• Monoisotopic Mass: 240.042 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 342.000
• 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

Riferimenti

1. Dong Lu, Ke Lu, Hong-Tao Wen, Zhan Wei, Alberto Bianco, Gui-Gen Wang, Hua-Yu Zhang.  (2023)  Synthesis of Visible Light Excitable Carbon Dot Phosphor-Al2O3 Hybrids for Anti-Counterfeiting and Information Encryption.  Small,  19  (31): (2207046).  [PMID:36960674] [10.1002/smll.202207046]

2. Yuanyuan Song, Ziqi Wang, Yijing Long, Yang Mao, Feng Jiang, Yuanyuan Lu.  (2022)  2-Alkyl-anthraquinones inhibit Candida albicans biofilm via inhibiting the formation of matrix and hyphae.  RESEARCH IN MICROBIOLOGY,      [PMID:35550403] [10.1016/j.resmic.2022.103955]

Domande frequenti

What is the purity of this product?

This product is supplied at ≥85% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. 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 117-12-4, the molecular formula is C14H8O4, and the molecular weight is 240.21 g/mol. InChIKey JPICKYUTICNNNJ-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.