VUF 10166 - ≥99% , CAS No.155584-74-0

CAS: 155584-74-0 Cat. No.: V129763 Molecular Weight: 262.74 PubChem CID: 24278976

GRADE & PURITY ≥99%

Synonyms

s2865 | NCGC00379152-02 | A906484 | HMS3884N20 | VUF 10166 | 2-Chloro-3-(4-methyl-1-piperazinyl)quinoxaline | CCG-267078 | Z994862958 | AKOS016010623 | SB19512 | HY-100552 | AC-32765 | DTXSID60640663 | EN300-110943 | HMS3651F21 | VUF10166 | VUF-10166 | Qu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

VUF10166 is a novel, potent and competitive antagonist for 5-HT3A receptor with Ki of 0.04 nM, its affinity at 5-HT3AB receptor is significantly lower.
VUF10166 shows low activity to 5-HT3AB receptor with Ki of 22 nM. VUF10166 may be used to can distinguish between 5-HT3A and 5-HT3AB receptors. VUF10166 has no activity to α7 nACh receptor. VUF10166 also acts as a partial agonist at 5-HT3A receptors with EC50 of 5.2 μM, which shows that VUF10166 is unlikely to bind in the receptor pore.

Specifications

Synonyms

s2865 | NCGC00379152-02 | A906484 | HMS3884N20 | VUF 10166 | 2-Chloro-3-(4-methyl-1-piperazinyl)quinoxaline | CCG-267078 | Z994862958 | AKOS016010623 | SB19512 | HY-100552 | AC-32765 | DTXSID60640663 | EN300-110943 | HMS3651F21 | VUF10166 | VUF-10166 | Qu

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

High affinity 5-HT3receptor antagonist (IC50values are 0.04 and 22 nM for human 5HT3Aand 5-HT3ABreceptors respectively). Exhibits partial agonist activity at 5-HT3Areceptors at higher concentrations (EC50= 5.2μM). Also histamine H4receptor antagonist (pKi

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.

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl
• IUPAC Name: 2-chloro-3-(4-methylpiperazin-1-yl)quinoxaline
• InChIKey: FFXVTQDGTKEXHF-UHFFFAOYSA-N
• INCHI: 1S/C13H15ClN4/c1-17-6-8-18(9-7-17)13-12(14)15-10-4-2-3-5-11(10)16-13/h2-5H,6-9H2,1H3
• Isomeric SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl
• PubChem CID: 24278976
• Molecular Weight: 262.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-arylpiperazines
• Alternative Parents: Quinoxalines Dialkylarylamines N-methylpiperazines Aminopyrazines Imidolactams Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Quinoxaline - Dialkylarylamine - Aminopyrazine - N-alkylpiperazine - N-methylpiperazine - Aryl chloride - Aryl halide - Imidolactam - Benzenoid - Pyrazine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
• 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)

HTR3A Tclin 5-hydroxytryptamine receptor 3A (1 Activities)

Discover Target: HTR3A

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

HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 Activities)

Discover Target: HTR3A

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

Associated Targets(non-human)

Hrh4 Histamine H4 receptor (388 Activities)

Discover Target: Hrh4

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

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Htr3a Serotonin 3 (5-HT3) receptor (1834 Activities)

Discover Target: Htr3a

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: 26.27, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 26.27, Max Conc. mM: 100
• Molecular Weight: 262.740 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 262.099 Da
• Monoisotopic Mass: 262.099 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 280.000
• 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