GRADE & PURITY Moligand™, ≥99%(HPLC)

Synonyms

HY-103130 | WWB12346 | 1171123-46-8 | AKOS024457068 | DTXSID90719336 | EMD386088 | EMD386088 hydrochloride | EMD-386088 hydrochloride | 5-Chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-Indole hydrochloride | F6WU3NK3K8 | 1H-Indole, 5-chloro-2-methy

Storage

Room temperature,Desiccated

Shipped In

Normal

Descripción general

EMD386088 is a potent serotonin 6 receptor (5-HT6R) agonist. EMD386088 induced cell death. EMD386088 regulates the activity of ERK1/2. EMD386088 has the potential to study Alzheimer's disease (AD) and schizophrenia

Specifications

Sinónimos

HY-103130 | WWB12346 | 1171123-46-8 | AKOS024457068 | DTXSID90719336 | EMD386088 | EMD386088 hydrochloride | EMD-386088 hydrochloride | 5-Chloro-2-methyl-3-(1, 2, 3, 6-tetrahydro-4-pyridinyl)-1H-Indole hydrochloride | F6WU3NK3K8 | 1H-Indole, 5-chloro-2-methy

Especificaciones y pureza

Moligand™, ≥99%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent 5-HT6receptor agonist (EC50= 1.0 nM) that displays selectivity over other 5-HT receptors (IC50values are 7.4, 110, 180, 240, 450, 620, 660 and 3000 nM for 5-HT6, 5-HT1D, 5-HT1B, 5-HT2A, 5-HT2C, 5-HT4, 5-HT1Aand 5-HT7receptors respectively). Shows m

Condiciones de almacenamiento de almacenamiento

Room temperature, Desiccated

Enviado en

Normal

Grado

Moligand™

Tipo de acción

AGONIST

Mecanismo de acción

Agonist of 5-HT 6 receptor

Pureza

≥99%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504771521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771521
• Sonrisas canónicas: CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3.Cl
• IUPAC Name: 5-chloro-2-methyl-3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-indole;hydrochloride
• InChIKey: WWSNDUWIZDYGIQ-UHFFFAOYSA-N
• INCHI: 1S/C14H15ClN2.ClH/c1-9-14(10-4-6-16-7-5-10)12-8-11(15)2-3-13(12)17-9;/h2-4,8,16-17H,5-7H2,1H3;1H
• Isómeros SMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3.Cl
• WGK Alemania: 3
• Peso molecular: 283.20
• Reaxy-Rn: 29671195
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=29671195&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Substituted pyrroles Hydropyridines Benzenoids Aryl chlorides Heteroaromatic compounds Dialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Aryl chloride - Aryl halide - Hydropyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Secondary aliphatic amine - Azacycle - Secondary amine - Organohalogen compound - Hydrochloride - Amine - Hydrocarbon derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• 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

Objetivos asociados (humanos)

HTR6 Tchem 5-hydroxytryptamine receptor 6 (1 Activities)

Discover Target: HTR6

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

Propiedades químicas y físicas

• Solubilidad: Solvent:water, Max Conc. mg/mL: 7.08, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 28.32, Max Conc. mM: 100
• Peso molecular: 283.200 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 282.069 Da
• Monoisotopic Mass: 282.069 Da
• Topological Polar Surface Area: 27.800 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 315.000
• 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: 2

XLogP3