9-Methoxycanthin-6-one - 10mM in DMSO , CAS No.74991-91-6

CAS: 74991-91-6 Cat. No.: M425825 Peso molecular: 250.25

GRADE & PURITY 10mM in DMSO

Synonyms

13-METHOXY-1,6-DIAZATETRACYCLO[7.6.1.0?,(1)?.0(1)?,(1)?]HEXADECA-3,5,7,9(16),10(15),11,13-HEPTAEN-2-ONE | PD098532 | 13-methoxy-1,6-diazatetracyclo[7.6.1.0?,??.0??,??]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one | DTXSID90432290 | D93564 | BCP33217 | Q2713

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

9-Methoxycanthin-6-one, a canthin-6-one alkaloid, is present in intact plant parts and in callus tissues of different explants. 9-Methoxycanthin-6-one shows anti-tumor activity.

Specifications

Sinónimos

13-METHOXY-1, 6-DIAZATETRACYCLO[7.6.1.0?, (1)?.0(1)?, (1)?]HEXADECA-3, 5, 7, 9(16), 10(15), 11, 13-HEPTAEN-2-ONE | PD098532 | 13-methoxy-1, 6-diazatetracyclo[7.6.1.0?, ??.0??, ??]hexadeca-3, 5(16), 6, 8, 10, 12, 14-heptaen-2-one | DTXSID90432290 | D93564 | BCP33217 | Q2713

Especificaciones y pureza

10mM in DMSO

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Sonrisas canónicas: COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
• IUPAC Name: 13-methoxy-1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one
• InChIKey: OWCRARVHWCCRAG-UHFFFAOYSA-N
• INCHI: 1S/C15H10N2O2/c1-19-9-2-3-10-11-6-7-16-12-4-5-14(18)17(15(11)12)13(10)8-9/h2-8H,1H3
• Isómeros SMILES: COC1=CC2=C(C=C1)C3=C4N2C(=O)C=CC4=NC=C3
• Peso molecular: 250.25
• Reaxy-Rn: 4470310
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4470310&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Alkaloids and derivatives
    • Clase Indolonaphthyridine alkaloids

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Clase: Indolonaphthyridine alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolonaphthyridine alkaloids
• Alternative Parents: Beta carbolines Naphthyridines Indolizines Indoles Anisoles Pyridinones Alkyl aryl ethers Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolo[3,2-1de][1,5]naphthyridine - Beta-carboline - Pyridoindole - Diazanaphthalene - Naphthyridine - Indole - Indole or derivatives - Indolizine - Pyrrolopyridine - Anisole - Alkyl aryl ether - Pyridinone - Benzenoid - Pyridine - Heteroaromatic compound - Pyrrole - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organopnictogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic oxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indolonaphthyridine alkaloids. These are a numerous and relatively straightforward subgroup of the b-carbolines, e.g. Canthin-6-one, in which an additional C3 unit is attached between C-1 and the indole nitrogen to form an additional ring. The group includes a few dimeric examples, such as Haplophytine.
• External Descriptors: aromatic ether - organic heterotetracyclic compound - indole alkaloid

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)

Breast carcinoma cell (217 Activities)

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HCT-8 (3484 Activities)

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MCF7 (126967 Activities)

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MRC5 (9203 Activities)

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A549 (127892 Activities)

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HEK293 (82097 Activities)

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Colon cancer cell line (58 Activities)

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HepG2 (196354 Activities)

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Lung cancer cell line (31 Activities)

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Melanoma cell line (83 Activities)

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Objetivos asociados (no humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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P388 (20296 Activities)

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Vero (26788 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Punto de ebullición (°C): 384.1±42.0° C at 760 mmHg
• Peso molecular: 250.250 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 250.074 Da
• Monoisotopic Mass: 250.074 Da
• Topological Polar Surface Area: 44.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 422.000
• 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