Evodine - 10mM in DMSO , CAS No.6989-38-4

CAS: 6989-38-4 Cat. No.: E425587 Fórmula: C₁₈H₁₉NO₅ Peso molecular: 329.35

GRADE & PURITY 10mM in DMSO

Synonyms

3-​Buten-​2-​ol,1-​[(4,​8-​dimethoxyfuro[2,​3-​b]​quinolin-​7-​yl)​oxy]​-​3-​methyl-​,(-​)​-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Information

Evodine Evodine, a natural product extracted from Evodiae fructus (EF), is a biomarker for quality assessment of EF in the Chinese Pharmacopoeia. Evodine is a potent P-gp inhibitor.

Specifications

Sinónimos

3-​Buten-​2-​ol,1-​[(4,​8-​dimethoxyfuro[2,​3-​b]​quinolin-​7-​yl)​oxy]​-​3-​methyl-​,(-​)​-

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Evodine, a natural product extracted from Evodiae fructus (EF), is a biomarker for quality assessment of EF in the Chinese Pharmacopoeia. Evodine is a potent P-gp inhibitor.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

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

Propriedades do produto

• ALogP: 3.022
• hba_count: 5
• Contagem HBD: 1
• Ligação rotativa: 6

Nomes e identificadores

• Sorrisos canónicos: CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
• IUPAC Name: 1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbut-3-en-2-ol
• InChIKey: LNJTUUHDKCPQAA-UHFFFAOYSA-N
• INCHI: 1S/C18H19NO5/c1-10(2)13(20)9-24-14-6-5-11-15(17(14)22-4)19-18-12(7-8-23-18)16(11)21-3/h5-8,13,20H,1,9H2,2-4H3
• SMILES isoméricas: CC(=C)C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O
• Peso molecular: 329.35
• Reaxy-Rn: 574679
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=574679&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Quinolines and derivatives
      • Subclass Furanoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Quinolines and derivatives
• Subclass: Furanoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Furanoquinolines
• Alternative Parents: Furopyridines Anisoles Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Furans Secondary alcohols Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furanoquinoline - Furopyridine - Anisole - Alkyl aryl ether - Pyridine - Benzenoid - Furan - Heteroaromatic compound - Secondary alcohol - Oxacycle - Ether - Azacycle - Alcohol - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as furanoquinolines. These are compounds containing a furan ring fused to a quinoline.
• 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

• DMSO (mg/mL) Solubilidade máxima: 66
• DMSO (mM) Solubilidade máxima: 200.394716866555
• Água (mg/mL) Solubilidade máxima: -1
• Peso molecular: 329.300 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 329.126 Da
• Monoisotopic Mass: 329.126 Da
• Topological Polar Surface Area: 74.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 445.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Perguntas frequentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 6989-38-4, the molecular formula is C18H19NO5, and the molecular weight is 329.35 g/mol. InChIKey LNJTUUHDKCPQAA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.