CP-135807 , CAS No.151272-90-1

CAS: 151272-90-1 Cat. No.: C1428523 Molecular Weight: 351.4 EC Number: 663-552-7 PubChem CID: 5487088

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

CP-135807 is an orally active and selective 5-HT1D agonist ( IC 50 =3.1 nM), bovine). CP-135807 mediates central psychoactivity and can be used in antidepressant research.

Specifications

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: CN1CCCC1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]
• IUPAC Name: 3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-N-(3-nitropyridin-2-yl)-1H-indol-5-amine
• InChIKey: YPFIYPNOWVPAPR-OAHLLOKOSA-N
• INCHI: 1S/C19H21N5O2/c1-23-9-3-4-15(23)10-13-12-21-17-7-6-14(11-16(13)17)22-19-18(24(25)26)5-2-8-20-19/h2,5-8,11-12,15,21H,3-4,9-10H2,1H3,(H,20,22)/t15-/m1/s1
• Isomeric SMILES: CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)NC4=C(C=CC=N4)[N+](=O)[O-]
• WGK Germany: 3
• RTECS: NL2412000
• PubChem CID: 5487088
• Molecular Weight: 351.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Nitroaromatic compounds Aminopyridines and derivatives Aralkylamines Substituted pyrroles Benzenoids Imidolactams N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Organic oxoazanium compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic salts Hydrocarbon derivatives Organic zwitterions Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Nitroaromatic compound - Aminopyridine - Aralkylamine - Pyridine - Substituted pyrrole - N-alkylpyrrolidine - Benzenoid - Imidolactam - Pyrrole - Pyrrolidine - Heteroaromatic compound - Organic nitro compound - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Organic oxoazanium - Organic zwitterion - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Aromatic heteropolycyclic compound
• Description: 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: 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