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

CAS: 1179347-65-9 Cat. No.: M648364 分子式: C₂₁H₁₄N₂O₂ 分子量: 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

概要

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

同義語

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

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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

保管条件

Protected from light,Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ACTIVATOR

純度

≥98%

名前と識別子

カノニカル・スマイル

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

異性体SMILES

C1=CC(=C(C(=C1)O)C2=CC=C(C=C2)C3=CC4=C(C=C3)NC=C4C#N)O

PubChem CID

59145386

分子量

326.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

化学的性質と物理的性質

• 溶解度: DMSO : 125 mg/mL (383.02 mM; Need ultrasonic)
• 感度: Light sensitive
• 分子量: 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