Dehydroevodiamine - ≥98% , CAS No.67909-49-3

CAS: 67909-49-3 Cat. No.: D413067 Peso molecular: 301.35

GRADE & PURITY ≥98%

Synonyms

Indolo[2',3':3,4]pyrido[2,1-b]quinazolinium, 5,7,8,13-tetrahydro-14-methyl-5-oxo-, inner salt | AKOS016010126 | BS-17904 | GLXC-14697 | 8NT3HW64V9 | A867162 | 14-Methyl-5-oxo-7,8-dihydro-5H-indolo[2',3':3,4]-pyrido[2,1-b]quinazolin-14-ium-13-ide | 14-Meth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Dehydroevodiamine (DHED), a constituent of Evodia rutaecarpa, has various biological effects such as hypotensive, negative chronotropic, ion channel depressant, inhibition of nitric oxide production and cerebral blood flow enhancing activities. Dehydroevodiamine inhibits LPS-induced iNOS, COX-2, prostaglandin E2 (PGE2) and nuclear factor-kappa B (NF-κB) expression in murine macrophage cells.

Targets

NF-κB ; COX-2 ; iNOS ; PGE2

In vivo

The dose ranging study demonstrated that the volume of distribution and clearance are independent of the dose. The primary route of elimination for the drug is via metabolism. i.v. administration of dehydroevodiamine elicited a slight but significant reduction in blood pressure and a marked decrease in heart rate.

Cell Research(from reference)

Cell lines：Cerebellar granule cells 

Concentrations：1-20 μM 

Incubation Time：9 days 

Product Describtion:

Dehydroevodiamine (DHED), a constituent of Evodia rutaecarpa, has various biological effects such as hypotensive, negative chronotropic, ion channel depressant, inhibition of nitric oxide production and cerebral blood flow enhancing activities. Dehydroevodiamine inhibits LPS-induced iNOS, COX-2, prostaglandin E2 (PGE2) and nuclear factor-kappa B (NF-κB) expression in murine macrophage cells.

Specifications

Sinónimos

Indolo[2', 3':3, 4]pyrido[2, 1-b]quinazolinium, 5, 7, 8, 13-tetrahydro-14-methyl-5-oxo-, inner salt | AKOS016010126 | BS-17904 | GLXC-14697 | 8NT3HW64V9 | A867162 | 14-Methyl-5-oxo-7, 8-dihydro-5H-indolo[2', 3':3, 4]-pyrido[2, 1-b]quinazolin-14-ium-13-ide | 14-Meth

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

Dehydroevodiamine (DHED), a constituent of Evodia rutaecarpa, has various biological effects such as hypotensive, negative chronotropic, ion channel depressant, inhibition of nitric oxide production and cerebral blood flow enhancing activities. Dehydroevo

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504764903
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764903
• Sonrisas canónicas: CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3
• IUPAC Name: 21-methyl-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,15,17,19-octaen-14-one
• InChIKey: VXHNSVKJHXSKKM-UHFFFAOYSA-N
• INCHI: 1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3
• Isómeros SMILES: CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3
• Peso molecular: 301.35
• Reaxy-Rn: 624953
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=624953&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Indoles and derivatives Tetrahydropyridines Benzenoids Vinylogous amides Tertiary carboxylic acid amides Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Indole or derivatives - Tetrahydropyridine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Lactam - Carboxamide group - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
• 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: Solubility (25°C) In vitro DMSO: 19 mg/mL (63.05 mM)
• Peso molecular: 301.300 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 301.122 Da
• Monoisotopic Mass: 301.122 Da
• Topological Polar Surface Area: 35.900 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 753.000
• 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