7,8-Dimethoxycoumarin - Moligand™, ≥98% , CAS No.2445-80-9

CAS: 2445-80-9 Cat. No.: D695895 Fórmula: C₁₁H₁₀O₄ Peso molecular: 206.19 PubChem CID: 142768

GRADE & PURITY Moligand™, ≥98%

Storage

Store at 2-8°C,Protected from light,Desiccated

Shipped In

Wet ice

Descripción general

7,8-Dimethoxycoumarin is a coumarin compound derived from Artemisia caruifolia . 7,8-Dimethoxycoumarin inhibits mitochondrial permeability transition pore and H+/K+-ATPase, and exhibits antioxidant, anti-inflammatory, renoprotective, neuroprotective and gastroprotective effects. 7,8-Dimethoxycoumarin reduces lipid peroxidation (TBARS), increases GSH levels, inhibits myeloperoxidase (MPO) activity, and regulates the expression of inflammatory factors by inhibiting the NF‑κB and MAPK pathways. 7,8-Dimethoxycoumarin ameliorates gastric mucosal injury, alleviates renal tissue lesions and relieves neuropathic pain. 7,8-Dimethoxycoumarin can be used in studies related to acute renal failure, trigeminal neuralgia and gastritis.

Specifications

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light,Desiccated

Enviado en

Wet ice

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

Grado

Moligand™

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
• IUPAC Name: 7,8-dimethoxychromen-2-one
• InChIKey: CHBBSMUTOCUVDW-UHFFFAOYSA-N
• INCHI: 1S/C11H10O4/c1-13-8-5-3-7-4-6-9(12)15-10(7)11(8)14-2/h3-6H,1-2H3
• Isómeros SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)OC
• PubChem CID: 142768
• Peso molecular: 206.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Heteroaromatic compound - Lactone - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

• Peso molecular: 206.190 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 206.058 Da
• Monoisotopic Mass: 206.058 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 274.000
• 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