2-Methyl-1-nitroanthraquinone , CAS No.129-15-7

CAS: 129-15-7 Cat. No.: M124353 Formula: C₁₅H₉NO₄ Peso molecolare: 267.243 Numero EC: 204-932-0

Synonyms

2-METHYL-1-NITROANTHRAQUINONE|129-15-7|2-methyl-1-nitroanthracene-9,10-dione|1-Nitro-2-methylanthraquinone|9,10-Anthracenedione, 2-methyl-1-nitro-|Anthraquinone, 2-methyl-1-nitro-|NCI-C01923|1-N-2-Ma|2-Methyl-1-nitro-9,10-anthracenedione|2-methyl-1-nitro-

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

2-METHYL-1-NITROANTHRAQUINONE | 129-15-7 | 2-methyl-1-nitroanthracene-9,10-dione | 1-Nitro-2-methylanthraquinone | 9,10-Anthracenedione, 2-methyl-1-nitro- | Anthraquinone, 2-methyl-1-nitro- | NCI-C01923 | 1-N-2-Ma | 2-Methyl-1-nitro-9,10-anthracenedione | 2-methyl-1-nitro-

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Nomi e identificatori

Sorrisi canonici

CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

IUPAC Name

2-methyl-1-nitroanthracene-9,10-dione

InChIKey

FYXKXZFTZBYYNP-UHFFFAOYSA-N

INCHI

1S/C15H9NO4/c1-8-6-7-11-12(13(8)16(19)20)15(18)10-5-3-2-4-9(10)14(11)17/h2-7H,1H3

Isomeri SMILES

CC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)[N+](=O)[O-]

Peso molecolare

267.243

Reaxy-Rn

2140943

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2140943&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: Nitronaphthalenes Nitroaromatic compounds Aryl ketones Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: 9,10-anthraquinone - Anthraquinone - 1-nitronaphthalene - Nitroaromatic compound - Aryl ketone - Ketone - C-nitro compound - Organic nitro compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organopnictogen 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: anthraquinone

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

Obiettivi associati (umani)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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CXCL8 Tchem Interleukin-8 (642 Activities)

Discover Target: CXCL8

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AHR Tclin Aryl hydrocarbon receptor (1071 Activities)

Discover Target: AHR

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

Discover Target: CYP3A4

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Lymphoblastoid cell (5959 Activities)

Explore this target

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Obiettivi associati (non umani)

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 270-271°C
• Peso molecolare: 267.240 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 267.053 Da
• Monoisotopic Mass: 267.053 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 455.000
• 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

Domande frequenti

How should this product be stored?

Store at room temperature.

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

The CAS Number is 129-15-7, the molecular formula is C15H9NO4, and the molecular weight is 267.243 g/mol. InChIKey FYXKXZFTZBYYNP-UHFFFAOYSA-N.

How is this product shipped?

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