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

Overview

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

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

Specifications & Purity

Moligand™, ≥99%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Room temperature, Desiccated

Shipped In

Normal

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of 5-HT 6 receptor

Purity

≥99%(HPLC)

Names and Identifiers

• Pubchem Sid: 504771521
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504771521
• Canonical Smiles: 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
• Isomeric SMILES: CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3.Cl
• WGK Germany: 3
• Molecular Weight: 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
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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)

Chemical and Physical Properties

• Solubility: Solvent:water, Max Conc. mg/mL: 7.08, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 28.32, Max Conc. mM: 100
• Molecular Weight: 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