Naratriptan hydrochloride - ≥98% , Serotonin 1d (5-HT1d) receptor agonist, CAS No.143388-64-1, Serotonin 1d (5-HT1d) receptor agonist

CAS: 143388-64-1 Cat. No.: N129630 Fórmula: C₁₇H₂₅N₃O₂S·HCl Peso molecular: 371.93 Número CE: 662-728-0

GRADE & PURITY ≥98%

Synonyms

Amerge | Amerge (TN) | GR-85548A hydrochloride | N-methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide Monohydrochloride | N-Methyl-3-(1-methyl-4-piperidyl)indole-5-ethanesulfonamide monohydrochloride | UNII-10X8X4P12Z | 2-[3-(1-methyl-piperid

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

Amerge | Amerge (TN) | GR-85548A hydrochloride | N-methyl-3-(1-methyl-4-piperidinyl)-1H-indole-5-ethanesulfonamide Monohydrochloride | N-Methyl-3-(1-methyl-4-piperidyl)indole-5-ethanesulfonamide monohydrochloride | UNII-10X8X4P12Z | 2-[3-(1-methyl-piperid

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Mecanismo de ação

Serotonin 1d (5-HT1d) receptor agonist

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504753724
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753724
• Sorrisos canónicos: CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.Cl
• IUPAC Name: N-methyl-2-[3-(1-methylpiperidin-4-yl)-1H-indol-5-yl]ethanesulfonamide;hydrochloride
• InChIKey: AWEZYKMQFAUBTD-UHFFFAOYSA-N
• INCHI: 1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H
• SMILES isoméricas: CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.Cl
• WGK Alemanha: 3
• CAS alternativo: 121679-13-8
• Peso molecular: 371.93
• Reaxy-Rn: 7786629
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7786629&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: Aralkylamines Substituted pyrroles Piperidines Organosulfonamides Organic sulfonamides Benzenoids Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Aralkylamine - Piperidine - Substituted pyrrole - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Pyrrole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Azacycle - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descrição: 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: hydrochloride

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

Alvos associados (não humanos)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO and Methanol
• Sensibilidade: Air Sensitive
• Ponto de fusão (°C): 234-236°C
• Peso molecular: 371.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 371.143 Da
• Monoisotopic Mass: 371.143 Da
• Topological Polar Surface Area: 73.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 483.000
• 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