Conoidin A - ≥96% , CAS No.18080-67-6

CAS: 18080-67-6 Cat. No.: C419985 Fórmula: C₁₀H₈Br₂N₂O₂ Peso molecular: 347.99 Número CE: 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

Visão geral

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

Sinónimos

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-

Especificações e pureza

≥96%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Tipo de ação

INHIBITOR

Pureza

≥96%

Nomes e identificadores

• Pubchem Sid: 528763935
• Sorrisos canónicos: 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
• SMILES isoméricas: C1=CC=C2C(=C1)N(C(=C([N+]2=O)CBr)CBr)[O-]
• Peso molecular: 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
    • Classe Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Alvos associados (humanos)

BALL-1 (70 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 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