Canthin-6-one - Moligand™, ≥98% , CAS No.479-43-6

CAS: 479-43-6 Cat. No.: C695264 Fórmula: C₁₄H₈N₂O Peso molecular: 220.23 PubChem CID: 97176

GRAU & PUREZA Moligand™, ≥98%

Synonyms

6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Canthin-6-one displays a wide range of biological activities, such as antimycobacterial activity.

Especificações

Sinónimos

6H-Indolo[3,2,1-de][1,5]naphthyridin-6-one

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Propriedades do produto

ALogP

2.4

Nomes e identificadores

Sorrisos canónicos

C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3

IUPAC Name

1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),6,8,10,12,14-heptaen-2-one

InChIKey

ZERVJPYNQLONEK-UHFFFAOYSA-N

INCHI

1S/C14H8N2O/c17-13-6-5-11-14-10(7-8-15-11)9-3-1-2-4-12(9)16(13)14/h1-8H

SMILES isoméricas

C1=CC=C2C(=C1)C3=C4N2C(=O)C=CC4=NC=C3

PubChem CID

97176

Peso molecular

220.23

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Alkaloids and derivatives
• Classe: Indolonaphthyridine alkaloids
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolonaphthyridine alkaloids
• Alternative Parents: Beta carbolines Naphthyridines Indolizines Indoles Pyridinones Benzenoids Pyrroles Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen 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 - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Pyrrole - Lactam - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: 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: organic heterotetracyclic compound - indole alkaloid - enone

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

Alvos associados (humanos)

AKT1 Tchem Serine/threonine-protein kinase AKT (9192 Activities)

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Calu-3 (339 Activities)

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CCRF-CEM (65223 Activities)

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DU-145 (51482 Activities)

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HCT-8 (3484 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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MRC5 (9203 Activities)

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NHDF (1164 Activities)

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PC-3 (62116 Activities)

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ADR5000 cell line (115 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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Jurkat (10389 Activities)

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KB (17409 Activities)

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HeLa (62764 Activities)

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HCC1395 (122 Activities)

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Alvos associados (não humanos)

Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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Pseudomonas aeruginosa (123386 Activities)

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Pseudomonas fluorescens (1630 Activities)

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Ralstonia solanacearum (520 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Bacillus subtilis (32866 Activities)

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Mycobacterium (258 Activities)

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Mycolicibacterium fortuitum (1335 Activities)

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Mycolicibacterium phlei (631 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Enterococcus faecalis (29875 Activities)

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Bacillus cereus (7522 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Aspergillus fumigatus (16427 Activities)

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Entamoeba histolytica (2676 Activities)

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Plasmodium falciparum (966862 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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CHO (4503 Activities)

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Vero (26788 Activities)

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C6 (2371 Activities)

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NIH3T3 (5395 Activities)

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Trichophyton mentagrophytes (4846 Activities)

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Gabrp GABA-A receptor; anion channel (5731 Activities)

Discover Target: Gabrp

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Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: light & Moisture & heat & air sensitive
• Peso molecular: 220.230 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 220.064 Da
• Monoisotopic Mass: 220.064 Da
• Topological Polar Surface Area: 34.900 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 378.000
• 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