2-Methylanthraquinone - ≥97% , CAS No.84-54-8

CAS: 84-54-8 Cat. No.: M122891 Fórmula: C₁₅H₁₀O₂ Peso molecular: 222.24 Beilstein Registry Number: 2050523 Número CE: 201-539-6

GRADE & PURITY ≥97%

Synonyms

2-MAQ | D85134 | AE-641/00352041 | 2-METHYLANTHRAQUINONE [MI] | 9, 2-methyl- | HY-N1739 | Anthraquinone, 2-methyl- | Tox21_302044 | CAS-84-54-8 | EU-0067001 | 2-methyl-anthracene-9,10-dione | 2-methylanthracene-9,10-dione | A840843 | SCHEMBL36822 | AKOS00

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

2-MAQ | D85134 | AE-641/00352041 | 2-METHYLANTHRAQUINONE [MI] | 9, 2-methyl- | HY-N1739 | Anthraquinone, 2-methyl- | Tox21_302044 | CAS-84-54-8 | EU-0067001 | 2-methyl-anthracene-9,10-dione | 2-methylanthracene-9,10-dione | A840843 | SCHEMBL36822 | AKOS00

Especificações e pureza

≥97%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Tipo de ação

INHIBITOR

Pureza

≥97%

Nomes e identificadores

• Pubchem Sid: 488180152
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180152
• Sorrisos canónicos: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
• IUPAC Name: 2-methylanthracene-9,10-dione
• InChIKey: NJWGQARXZDRHCD-UHFFFAOYSA-N
• INCHI: 1S/C15H10O2/c1-9-6-7-12-13(8-9)15(17)11-5-3-2-4-10(11)14(12)16/h2-8H,1H3
• SMILES isoméricas: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
• WGK Alemanha: 3
• Peso molecular: 222.24
• Beilstein: 2050523
• Reaxy-Rn: 2050523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2050523&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 Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Anthraquinone - 9,10-anthraquinone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
• Descrição: 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: Anthraquinone type

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

Alvos associados (humanos)

ELANE Tclin Leukocyte elastase (8173 Activities)

Discover Target: ELANE

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

CTSG Tchem Cathepsin G (2304 Activities)

Discover Target: CTSG

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ACHN (49357 Activities)

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CCRF-CEM (65223 Activities)

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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A549 (127892 Activities)

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HUVEC (11049 Activities)

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Alvos associados (não humanos)

Candida albicans (78123 Activities)

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EMT6 (738 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de inflamação (°F): 408.2 °F
• Ponto de inflamação (°C): 209°C
• Ponto de ebulição (°C): 236-238°C/10mmHg
• Ponto de fusão (°C): 170-174°C
• Peso molecular: 222.240 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 222.068 Da
• Monoisotopic Mass: 222.068 Da
• Topological Polar Surface Area: 34.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 347.000
• 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

Referências

1. Haoying Zhang, Qi Zhang, Ting Zuo, Ziqi Wang, Jianmin Liao, Yuanyuan Lu.  (2025)  2-Chloromethyl Anthraquinone Inhibits Candida Albicans Biofilm Formation by Inhibiting the Ras1-cAMP-Efg1 Pathway.  RESEARCH IN MICROBIOLOGY,      [PMID:40024356] [10.1016/j.resmic.2025.104280]

2. Qidong Yu, Yiding Li, Wenmin Zhang, Xueting Cui, Shiye Xie, Lan Zhang.  (2025)  Covalent organic framework coating with abundant hydrogen bonding sites for efficient enrichment and sensitive detection of oxygenated polycyclic aromatic hydrocarbons in tea.  FOOD CHEMISTRY,      [PMID:40184738] [10.1016/j.foodchem.2025.144181]

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 84-54-8, the molecular formula is C15H10O2, and the molecular weight is 222.24 g/mol. InChIKey NJWGQARXZDRHCD-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.