EMD 386088 cloridrato - Moligand™, ≥99% (HPLC) , Agonist of 5-HT 6 receptor, CAS No.1171123-46-8, Agonist of 5-HT 6 receptor

CAS: 1171123-46-8 Cat. No.: E288344 Formula: C₁₄H₁₅N₂Cl•HCl Peso molecolare: 283.20 Numero EC: 694-400-8

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

Temperatura ambiente, essiccato

Shipped In

Normale

Panoramica

EMD386088 è un potente agonista del recettore della serotonina 6 (5-HT6R). EMD386088 induce la morte cellulare. EMD386088 regola l'attività di ERK1/2. EMD386088 ha il potenziale per studiare la malattia di Alzheimer (AD) e la schizofrenia

Specifications

Sinonimi

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

Specifiche e purezza

Moligand™, ≥99% (HPLC)

Meccanismi biochimici e fisiologici

Potente agonista dei recettori 5-HT6 (EC50= 1,0 nM) che mostra selettività nei confronti di altri recettori 5-HT (i valori IC50 sono 7,4, 110, 180, 240, 450, 620, 660 e 3000 nM rispettivamente per i recettori 5-HT6, 5-HT1D, 5-HT1B, 5-HT2A, 5-HT2C, 5-HT4,

Condizioni di conservazione di stoccaggio

Temperatura ambiente, essiccato

Spedito in

Normale

Grado

Moligand™

Tipo di azione

AGONIST

Meccanismo d'azione

Agonist of 5-HT 6 receptor

Purezza

≥99%(HPLC)

Nomi e identificatori

Pubchem Sid

504771521

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771521

Sorrisi canonici

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

Isomeri SMILES

CC1=C(C2=C(N1)C=CC(=C2)Cl)C3=CCNCC3.Cl

WGK Germania

3

Peso molecolare

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
    • Classe Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

• Solubilità: 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 molecolare: 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