N-1-isopropyl-5-MeOT - Moligand™ , Agonist of 5-HT 2A receptor, CAS No.N611076, Agonist of 5-HT 2A receptor

CAS: N611076 Cat. No.: N611076 PubChem CID: 24820144

GRADE & PURITY Moligand™

Synonyms

N-1-isopropyl-5-methoxytryptamine

Storage

Room temperature

Specifications

Synonyms

N-1-isopropyl-5-methoxytryptamine

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of 5-HT 2A receptor

Names and Identifiers

• Canonical Smiles: NCCc1cn(c2c1cc(OC)cc2)C(C)C
• IUPAC Name: 2-[5-methoxy-1-(propan-2-yl)-1H-indol-3-yl]ethan-1-amine
• InChIKey: WFNIDMQOBQYSBC-UHFFFAOYSA-N
• INCHI: 1S/C14H20N2O/c1-10(2)16-9-11(6-7-15)13-8-12(17-3)4-5-14(13)16/h4-5,8-10H,6-7,15H2,1-3H3
• Isomeric SMILES: CC(C)N1C=C(C2=C1C=CC(=C2)OC)CCN
• PubChem CID: 24820144

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Tryptamines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Tryptamines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tryptamines and derivatives
• Alternative Parents: N-alkylindoles 3-alkylindoles Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Tryptamine - N-alkylindole - 3-alkylindole - Indole - Anisole - 2-arylethylamine - Phenol ether - Alkyl aryl ether - Aralkylamine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Ether - Azacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
• 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

Associated Targets(Human)

HTR2A Tclin 5-hydroxytryptamine receptor 2A (2 Activities)

Discover Target: HTR2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)