Conoidin A - ≥96% , CAS No.18080-67-6

CAS: 18080-67-6 Cat. No.: C419985 Molecular Weight: 347.99 EC Number: 111-114-6

GRADE & PURITY ≥96%

Synonyms

DTXSID30333530 | NCGC00247880-01 | 2,3-bis(bromomethyl)-quinoxaline 1,4-dioxide | 2,3-Bis(bromomethyl)quinoxaline 1,4-dioxide | HY-116090 | Conoidin A | 2,3-BIS(BROMOMETHYL)-1-OXOQUINOXALIN-1-IUM-4(1H)-OLATE | AKOS002529306 | AS-80564 | EC-000.1469 | 2,3-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Biological activity:

Conoidin A is a cell permeable inhibitor of T. gondii enzyme peroxiredoxin II (TgPrxII) with nematicidal properties. Conoidin A covalently binds to the peroxidatic Cys47 of TgPrxII, irreversibly inhibiting its hyperperoxidation activity with an IC50 of 23 µM. Conoidin A also inhibits hyperoxidation of mammalian PrxI and PrxII (but not PrxIII)[1][2]. Conoidin A has antioxidant, neuroprotective effects and can be used for the research of ischaemic heart disease.

Specifications

Synonyms

DTXSID30333530 | NCGC00247880-01 | 2, 3-bis(bromomethyl)-quinoxaline 1, 4-dioxide | 2, 3-Bis(bromomethyl)quinoxaline 1, 4-dioxide | HY-116090 | Conoidin A | 2, 3-BIS(BROMOMETHYL)-1-OXOQUINOXALIN-1-IUM-4(1H)-OLATE | AKOS002529306 | AS-80564 | EC-000.1469 | 2, 3-

Specifications & Purity

≥96%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

INHIBITOR

Purity

≥96%

Names and Identifiers

• Canonical Smiles: C1=CC=C2C(=C1)N(C(=C([N+]2=O)CBr)CBr)[O-]
• IUPAC Name: 2,3-bis(bromomethyl)-4-oxidoquinoxalin-1-ium 1-oxide
• InChIKey: DQKNFTLRMZOAMG-UHFFFAOYSA-N
• INCHI: 1S/C10H8Br2N2O2/c11-5-9-10(6-12)14(16)8-4-2-1-3-7(8)13(9)15/h1-4H,5-6H2
• Isomeric SMILES: C1=CC=C2C(=C1)N(C(=C([N+]2=O)CBr)CBr)[O-]
• Molecular Weight: 347.99
• Reaxy-Rn: 208575
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=208575&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: Quinoxalines
• Alternative Parents: Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Aminoxides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Benzenoid - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Aminoxide - Azacycle - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl bromide - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinoxalines. These are compounds containing a quinoxaline moiety, a bicyclic heterocycle made up of a benzene ring fused to a pyrazine 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

Associated Targets(Human)

BALL-1 (70 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 347.990 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 347.893 Da
• Monoisotopic Mass: 345.895 Da
• Topological Polar Surface Area: 46.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 303.000
• 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