Demethylasterriquinone B1 - Moligand™, ≥95% , CAS No.78860-34-1

CAS: 78860-34-1 Cat. No.: D287434 Peso molecular: 506.59

GRADE & PURITY Moligand™, ≥95%

Synonyms

DAQ B1, L-783,281, DMAQ-B1 | 2-[2-(1,1-Dimethyl-2-propenyl)-1H-indol-3-yl]-3,6-dihydroxy-5-[7-(3-methyl-2-butenyl)-1H-indol-3-yl]-2,5-cyclohexadiene-1,4-dione | Demethylasterriquinone B1

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

DAQ B1, L-783, 281, DMAQ-B1 | 2-[2-(1, 1-Dimethyl-2-propenyl)-1H-indol-3-yl]-3, 6-dihydroxy-5-[7-(3-methyl-2-butenyl)-1H-indol-3-yl]-2, 5-cyclohexadiene-1, 4-dione | Demethylasterriquinone B1

Especificaciones y pureza

Moligand™, ≥95%

Mecanismos bioquímicos y fisiológicos

Selective insulin receptor (IR) activator (EC50values are 3 - 6μM for IRTK and 100μM for IGF1R and EGFR). Increases IRβsubunit tyrosine phosphorylation and activation of PI 3-kinase and Akt, but not ERK. Induces glucose uptake in adipocytes and skeletal m

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ACTIVATOR

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)O)C
• IUPAC Name: 2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
• InChIKey: XMGNJVXBPZAETK-UHFFFAOYSA-N
• INCHI: 1S/C32H30N2O4/c1-6-32(4,5)31-23(20-11-7-8-13-22(20)34-31)25-29(37)27(35)24(28(36)30(25)38)21-16-33-26-18(15-14-17(2)3)10-9-12-19(21)26/h6-14,16,33-35,38H,1,15H2,2-5H3
• Isómeros SMILES: CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)O)C
• Peso molecular: 506.59
• Reaxy-Rn: 5673602
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5673602&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Prenol lipids
      • Subclass Quinone and hydroquinone lipids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Prenol lipids
• Subclass: Quinone and hydroquinone lipids
• Intermediate Tree Nodes: Not available
• Direct Parent: Prenylquinones
• Alternative Parents: Indoles P-benzoquinones Substituted pyrroles Benzenoids Vinylogous acids Heteroaromatic compounds Enols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Prenylbenzoquinone - Indole - Indole or derivatives - P-benzoquinone - Quinone - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Ketone - Cyclic ketone - Azacycle - Enol - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain.
• 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

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 50.66, Max Conc. mM: 100
• Sensibilidad: Moisture sensitive
• Peso molecular: 506.600 g/mol
• XLogP3: 7.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 506.221 Da
• Monoisotopic Mass: 506.221 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 1090.000
• 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