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 分子式: C₂₂H₂₆N₂O₂S.HBr 分子量: 463.43 EC番号: 639-688-8

グレード＆純度 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

概要

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

仕様

同義語

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

仕様と純度

10mM in DMSO

生化学的・生理学的メカニズム

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

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

作用メカニズム

Serotonin 1d (5-HT1d) receptor agonist

名前と識別子

パブケム・シド

528764387

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528764387

カノニカル・スマイル

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

異性体SMILES

CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)CCS(=O)(=O)C4=CC=CC=C4.Br

WGKドイツ

3

分子量

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
    • 分類 Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

作用メカニズム

化学的性質と物理的性質

• 感度: Heat, light sensitive
• 分子量: 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