9-Hydroxy-4-methoxyacridine - ≥95% , CAS No.35308-00-0

CAS: 35308-00-0 Cat. No.: H169848 分子式: C₁₄H₁₁NO₂ 分子量: 225.24 EC番号: 252-505-2

GRADE & PURITY ≥95%

Synonyms

9-ACRIDINOL, 4-METHOXY- | NSC 76055 | 4-Methoxyacridin-9(10H)-one | A874643 | NSC76055 | NSC-76055 | 4-Methoxy-9-acridinol | 9-Hydroxy-4-methoxyacridine | AKOS003665846 | SCHEMBL2924449 | D94717 | 4-Methoxy-9-acridanone | 9(10H)-Acridinone, 4-methoxy- | 4

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

9-ACRIDINOL, 4-METHOXY- | NSC 76055 | 4-Methoxyacridin-9(10H)-one | A874643 | NSC76055 | NSC-76055 | 4-Methoxy-9-acridinol | 9-Hydroxy-4-methoxyacridine | AKOS003665846 | SCHEMBL2924449 | D94717 | 4-Methoxy-9-acridanone | 9(10H)-Acridinone, 4-methoxy- | 4

仕様と純度

≥95%

保管条件

Room temperature

入荷

Normal

純度

≥95%

名前と識別子

パブケム・シド

488183376

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488183376

カノニカル・スマイル

COC1=CC=CC2=C1NC3=CC=CC=C3C2=O

IUPAC Name

4-methoxy-10H-acridin-9-one

InChIKey

ZYEVJRPVZZGDRM-UHFFFAOYSA-N

INCHI

1S/C14H11NO2/c1-17-12-8-4-6-10-13(12)15-11-7-3-2-5-9(11)14(10)16/h2-8H,1H3,(H,15,16)

異性体SMILES

COC1=CC=CC2=C1NC3=CC=CC=C3C2=O

分子量

225.24

Reaxy-Rn

200297

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=200297&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Quinolines and derivatives
      • Subclass Benzoquinolines
        • Level5 Acridines
          • Level6 Acridones

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Acridines
• Direct Parent: Acridones
• Alternative Parents: Hydroquinolones Hydroquinolines Anisoles Alkyl aryl ethers Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Acridone - Dihydroquinolone - Dihydroquinoline - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as acridones. These are acridines containing a ketone group attached to the C9 carbon atom of the acridine moiety.
• 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

関連ターゲット（人間）

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Discover Target: CTSV

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HaCaT (4069 Activities)

Explore this target

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関連ターゲット（非人間）

CTSL Cathepsin L (58 Activities)

Discover Target: CTSL

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

作用メカニズム

化学的性質と物理的性質

• 融点（°C）: 284-287 °C (dec.) (lit.)
• 分子量: 225.240 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 225.079 Da
• Monoisotopic Mass: 225.079 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 305.000
• 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