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 分子式: C₁₇H₂₅N₃O₂S·HCl 分子量: 371.93 EC番号: 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

同義語

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

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

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

純度

≥98%

名前と識別子

パブケム・シド

504753724

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504753724

カノニカル・スマイル

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

異性体SMILES

CNS(=O)(=O)CCC1=CC2=C(C=C1)NC=C2C3CCN(CC3)C.Cl

WGKドイツ

3

代替CAS番号

121679-13-8

分子量

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
    • 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: 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
• 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: 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

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

• 溶解度: Soluble in DMSO and Methanol
• 感度: Air Sensitive
• 融点（°C）: 234-236°C
• 分子量: 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