CX 546 - Moligand™, ≥98%(HPLC) , Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4, CAS No.215923-54-9, Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4

CAS: 215923-54-9 Cat. No.: C132833 Formula: C₁₄H₁₇NO₃ Peso molecolare: 247.29

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

1-(1,4-Benzodioxan-6-ylcarbonyl)piperidine

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

Product Introduction

CX546, a benzoylpiperidine derivative ampakine is an analog of CX516.

Application

CX546 has been used as positive allosteric modulator for the glutamatergic receptor α-amino-3-hydroxy-5-methyl-4-isoxazolepropionic acid (AMPA) in mice.

Specifications

Sinonimi

1-(1,4-Benzodioxan-6-ylcarbonyl)piperidine

Specifiche e purezza

Moligand™, ≥98%(HPLC)

Meccanismi biochimici e fisiologici

CX546 has antipsychotic functionality and has the potential to treat schizophrenia. It improves the defects associated with the prepulse inhibition (PPI) and latent inhibition (LI) in mice lacking metabotropic glutamate receptor type 5 (mGluR5). Additiona

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Grado

Moligand™

Tipo di azione

ALLOSTERIC MODULATOR

Meccanismo d'azione

Allosteric modulator of GluA1;Allosteric modulator of GluA2;Allosteric modulator of GluA3;Allosteric modulator of GluA4

Purezza

≥98%(HPLC)

Nomi e identificatori

• Pubchem Sid: 504750615
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504750615
• Sorrisi canonici: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3
• IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl(piperidin-1-yl)methanone
• InChIKey: LJUNPHMOGNFFOS-UHFFFAOYSA-N
• INCHI: 1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
• Isomeri SMILES: C1CCN(CC1)C(=O)C2=CC3=C(C=C2)OCCO3
• WGK Germania: 3
• Peso molecolare: 247.29
• Reaxy-Rn: 9779041
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9779041&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass N-acylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: N-acylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-benzoylpiperidines
• Alternative Parents: Benzo-1,4-dioxanes Alkyl aryl ethers Para dioxins Benzenoids Tertiary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-benzoylpiperidine - Benzo-1,4-dioxane - Benzodioxane - Alkyl aryl ether - Para-dioxin - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-benzoylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

Obiettivi associati (umani)

GRIA4 Tclin Glutamate receptor 4 (0 Activities)

Discover Target: GRIA4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRIA2 Tclin Glutamate receptor 2 (0 Activities)

Discover Target: GRIA2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRIA3 Tclin Glutamate receptor 3 (0 Activities)

Discover Target: GRIA3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

GRIA1 Tclin Glutamate receptor 1 (0 Activities)

Discover Target: GRIA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

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

HEK293 (82097 Activities)

Explore this target

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

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

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

RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

Discover Target: RECQL

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

HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)

Discover Target: HPGD

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)

Discover Target: ATAD5

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

GRIA4 Tclin Glutamate receptor AMPA 3/4 (3 Activities)

Discover Target: GRIA4

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

Obiettivi associati (non umani)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

pfk 6-phospho-1-fructokinase (7870 Activities)

Discover Target: pfk

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

Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)

Discover Target: Txnrd1

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

nfo Endonuclease 4 (425 Activities)

Discover Target: nfo

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:DMSO, Max Conc. mg/mL: 24.73, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 24.73, Max Conc. mM: 100
• Peso molecolare: 247.290 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 247.121 Da
• Monoisotopic Mass: 247.121 Da
• Topological Polar Surface Area: 38.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 301.000
• 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