Anthrarufin - ≥85% , CAS No.117-12-4

CAS: 117-12-4 Cat. No.: A124340 Fórmula: C₁₄H₈O₄ Peso molecular: 240.21 Beilstein Registry Number: 1881718 Número 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-dihidroxi- | CCRIS 3150 | 1,5-Dihidroxiantra-9,10-quinona # | 9,10-dihidroxi-1,5-a

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

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-dihidroxi- | CCRIS 3150 | 1,5-Dihidroxiantra-9,10-quinona # | 9,10-dihidroxi-1,5-a

Especificaciones y pureza

≥85%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥85%

Nombres e identificadores

Pubchem Sid

504751647

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751647

Sonrisas canónicas

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

Isómeros SMILES

C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C(=CC=C3)O

RTECS

CB6630000

Peso molecular

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
    • Clase Anthracenes
      • Subclass Anthraquinones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

MAOA Tclin Monoamine oxidase A (11911 Activities)

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MAOB Tclin Monoamine oxidase B (8835 Activities)

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A498 (42825 Activities)

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COLO 205 (50209 Activities)

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DLD-1 (17511 Activities)

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DMS-273 (14108 Activities)

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HT-29 (80576 Activities)

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K562 (73714 Activities)

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KM12 (47707 Activities)

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M14 (47487 Activities)

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MOLT-4 (49676 Activities)

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OVCAR-8 (47708 Activities)

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Raji (5516 Activities)

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RPMI-8226 (44974 Activities)

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RXF 393 (41971 Activities)

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SF-295 (48000 Activities)

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SK-MEL-2 (46422 Activities)

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SNB-19 (46794 Activities)

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SNB-78 (14240 Activities)

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TK-10 (45540 Activities)

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U-251 (51189 Activities)

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UACC-257 (46019 Activities)

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UACC-62 (47335 Activities)

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UO-31 (46270 Activities)

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XF498 (12972 Activities)

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786-0 (47912 Activities)

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A549 (127892 Activities)

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EKVX (44102 Activities)

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A-431 (6446 Activities)

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NCI-H322M (45589 Activities)

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HCC 2998 (41480 Activities)

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HCT-116 (91556 Activities)

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LXFL 529 (14112 Activities)

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Objetivos asociados (no humanos)

Ttr Transthyretin (14 Activities)

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Plasmodium falciparum (966862 Activities)

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Trichoplusia ni (986 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility in water: Practically insoluble; Soluble in Alcohol,Ether,Benzene
• Punto de fusión (°C): 279 °C
• Peso molecular: 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

Preguntas frecuentes

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.