ZK 200775 - Moligand™, ≥99%(HPLC) , CAS No.161605-73-8

CAS: 161605-73-8 Cat. No.: Z287426 Formula: C₁₄H₁₅N₃O₆F₃P Molecular Weight: 409.25

GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

GTPL7636 | NCGC00159553-01 | Tox21_111745_1 | ZK1 | NCGC00159553-02 | UNII-E3AP71EM0O | ZK 200775 | HMS3413G20 | HMS3677G20 | ZK200775 161605-73-8 | DB12393 | DTXSID7046093 | [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphospho

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Product description

Fanapanel (ZK200775) is a highly selective AMPA/kainate antagonist with little activity against NMDA; have Ki values of 3.2 nM, 100 nM, and 8.5 μM against quisqualate, kainate, and NMDA, respectively.

Specifications

Synonyms

GTPL7636 | NCGC00159553-01 | Tox21_111745_1 | ZK1 | NCGC00159553-02 | UNII-E3AP71EM0O | ZK 200775 | HMS3413G20 | HMS3677G20 | ZK200775 161605-73-8 | DB12393 | DTXSID7046093 | [7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphospho

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

Competitive AMPA/kainate antagonist. In rat cortical membranes, displays high affinity for [3H]-AMPA (Ki= 120 nM) and [3H]-CNQX (Ki= 32 nM) binding sites and low affinity for kainate and NMDA channel-associated binding sites (IC50values range from 2.5 to

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥99%(HPLC)

Names and Identifiers

Pubchem Sid

528768568

Canonical Smiles

C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O

IUPAC Name

[7-morpholin-4-yl-2,3-dioxo-6-(trifluoromethyl)-4H-quinoxalin-1-yl]methylphosphonic acid

InChIKey

WZMQMKNCWDCCMT-UHFFFAOYSA-N

INCHI

1S/C14H15F3N3O6P/c15-14(16,17)8-5-9-11(6-10(8)19-1-3-26-4-2-19)20(7-27(23,24)25)13(22)12(21)18-9/h5-6H,1-4,7H2,(H,18,21)(H2,23,24,25)

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2C(F)(F)F)NC(=O)C(=O)N3CP(=O)(O)O

Alternate CAS

1255517-78-2

Molecular Weight

409.25

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: Dialkylarylamines Benzenoids Pyrazines Morpholines Organic phosphonic acids Heteroaromatic compounds Lactams Azacyclic compounds Dialkyl ethers Oxacyclic compounds Organofluorides Organic oxides Alkyl fluorides Hydrocarbon derivatives Organophosphorus compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoxaline - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Morpholine - Oxazinane - Pyrazine - Benzenoid - Heteroaromatic compound - Organophosphonic acid - Organophosphonic acid derivative - Tertiary amine - Lactam - Azacycle - Oxacycle - Dialkyl ether - Ether - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organophosphorus compound - Alkyl halide - Organohalogen compound - Alkyl fluoride - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - 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)

APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)

Discover Target: APEX1

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

GLS Tchem Glutaminase kidney isoform, mitochondrial (16997 Activities)

Discover Target: GLS

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Xenopus sp. (29 Activities)

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Mus musculus (284745 Activities)

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

Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Grin1 Glutamate NMDA receptor (6467 Activities)

Discover Target: Grin1

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

Gria2 Glutamate receptor ionotropic, AMPA (2103 Activities)

Discover Target: Gria2

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 40.93, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 20.46, Max Conc. mM: 50
• Molecular Weight: 409.250 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 3
• Exact Mass: 409.065 Da
• Monoisotopic Mass: 409.065 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 650.000
• 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