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

CAS: 84-54-8 Cat. No.: M122891 分子式: C₁₅H₁₀O₂ 分子量: 222.24 Beilstein Registry Number: 2050523 EC番号: 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

同義語

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

仕様と純度

≥97%

保管条件

Room temperature

入荷

Normal

アクションタイプ

INHIBITOR

純度

≥97%

名前と識別子

• パブケム・シド: 488180152
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488180152
• カノニカル・スマイル: 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
• 異性体SMILES: CC1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O
• WGKドイツ: 3
• 分子量: 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
    • 分類 Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（人間）

ELANE Tclin Leukocyte elastase (8173 Activities)

Discover Target: ELANE

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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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関連ターゲット（非人間）

Candida albicans (78123 Activities)

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EMT6 (738 Activities)

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作用メカニズム

化学的性質と物理的性質

• 引火点（°F）: 408.2 °F
• 引火点（°C）: 209°C
• 沸点（°C）: 236-238°C/10mmHg
• 融点（°C）: 170-174°C
• 分子量: 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

参考文献

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]

よくある質問

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.