Eletriptan HBr - 10mM in DMSO , Serotonin 1d (5-HT1d) receptor agonist, CAS No.177834-92-3, Serotonin 1d (5-HT1d) receptor agonist

CAS: 177834-92-3 Cat. No.: E422165 Formula: C₂₂H₂₆N₂O₂S.HBr Peso molecolare: 463.43 Numero EC: 639-688-8

GRADE & PURITY 10mM in DMSO

Synonyms

N/A | 3-(N-methyl-2(R)-pyrrolidinylmethyl)-5-[2-(phenyl sulfonyl)ethyl]-1H-indole hydrobromide | 3-(N-Methyl-2(R)-pyrrolidinylmethyl)-5-(2-phenylsulphonylethly)-1H-indole hydrobromide | 3-(N-Methyl-2(R)-pyrrolidinylmethyl)-5-(2-phenylsulphonylethyl)-1H-in

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Eletriptan is a selective 5-HT1B and 5-HT1D receptor agonist with Ki of 0.92 nM and 3.14 nM, respectively.
A selective SR-1B/SR-1D

Specifications

Sinonimi

N/A | 3-(N-methyl-2(R)-pyrrolidinylmethyl)-5-[2-(phenyl sulfonyl)ethyl]-1H-indole hydrobromide | 3-(N-Methyl-2(R)-pyrrolidinylmethyl)-5-(2-phenylsulphonylethly)-1H-indole hydrobromide | 3-(N-Methyl-2(R)-pyrrolidinylmethyl)-5-(2-phenylsulphonylethyl)-1H-in

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Eletriptan hydrobromide is a selective SR-1B/SR-1D agonist.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Tipo di azione

AGONIST

Meccanismo d'azione

Serotonin 1d (5-HT1d) receptor agonist

Nomi e identificatori

• Pubchem Sid: 528764387
• Sorrisi canonici: CN1CCCC1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br
• IUPAC Name: 5-[2-(benzenesulfonyl)ethyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole;hydrobromide
• InChIKey: UTINOWOSWSPFLJ-FSRHSHDFSA-N
• INCHI: 1S/C22H26N2O2S.BrH/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20;/h2-4,7-10,14,16,19,23H,5-6,11-13,15H2,1H3;1H/t19-;/m1./s1
• Isomeri SMILES: CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br
• WGK Germania: 3
• Peso molecolare: 463.43
• Reaxy-Rn: 20878863
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20878863&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: 3-alkylindoles
• Alternative Parents: Benzenesulfonyl compounds Aralkylamines Substituted pyrroles N-alkylpyrrolidines Sulfones Heteroaromatic compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenesulfonyl group - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Pyrrole - Pyrrolidine - Sulfone - Sulfonyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Amine - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Hydrobromide - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• External Descriptors: hydrobromide

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 (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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Heat, light sensitive
• Peso molecolare: 463.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 462.098 Da
• Monoisotopic Mass: 462.098 Da
• Topological Polar Surface Area: 61.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 582.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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