Dehydroevodiamine - 10mM in DMSO , CAS No.67909-49-3

CAS: 67909-49-3 Cat. No.: D425410 Molecular Weight: 301.35

GRADE & PURITY 10mM in DMSO

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 -80°C

Shipped In

Dry ice packs + Cold packs

Overview

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 

Specifications

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

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

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

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CN1C2=CC=CC=C2C(=O)N3C1=C4C(=C5C=CC=CC5=N4)CC3
• Molecular Weight: 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
    • Class Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 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