MT 63-78 - Moligand™, ≥98% , CAS No.1179347-65-9

CAS: 1179347-65-9 Cat. No.: M648364 Fórmula: C₂₁H₁₄N₂O₂ Peso molecular: 326.35 PubChem CID: 59145386

GRADE & PURITY Moligand™, ≥98%

Synonyms

5-{2',6'-dihydroxy-[1,1'-biphenyl]-4-yl}-1H-indole-3-carbonitrile

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

MT 63-78 is an effective direct AMPK activator with an EC50 of 25 μM. M 63-78 also induces cell mitotic arrest and apoptosis. MT 63-78 prevents the growth of prostate cancer by inhibiting adipogenesis and the mTORC1 pathway. MT 63-78 has antitumor effects.

Specifications

Sinónimos

5-{2',6'-dihydroxy-[1,1'-biphenyl]-4-yl}-1H-indole-3-carbonitrile

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

MT 63-78 is a specific and potent direct AMPK activator with an EC 50 of 25 μM. MT 63–78 also induces cell mitotic arrest and apoptosis . MT 63-78 blocks prostate cancer growth by inhibiting the lipogenesis and mTORC1 pathways. MT 63-78 has antitumor effe

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C

Enviado em

Ice chest + Ice pads

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

Grau

Moligand™

Tipo de ação

ACTIVATOR

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: C1=CC(=C(C(=C1)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)NC=C4C#N)O
• IUPAC Name: 5-[4-(2,6-dihydroxyphenyl)phenyl]-1H-indole-3-carbonitrile
• InChIKey: IGSYZPLXAFVMKY-UHFFFAOYSA-N
• INCHI: 1S/C21H14N2O2/c22-11-16-12-23-18-9-8-15(10-17(16)18)13-4-6-14(7-5-13)21-19(24)2-1-3-20(21)25/h1-10,12,23-25H
• SMILES isoméricas: C1=CC(=C(C(=C1)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)NC=C4C#N)O
• PubChem CID: 59145386
• Peso molecular: 326.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Biphenyls and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Indoles Resorcinols 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Nitriles Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Biphenyl - Indole - Indole or derivatives - Resorcinol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 125 mg/mL (383.02 mM; Need ultrasonic)
• Sensibilidade: Light sensitive
• Peso molecular: 326.300 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 326.106 Da
• Monoisotopic Mass: 326.106 Da
• Topological Polar Surface Area: 80.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 497.000
• 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