(4E)-SUN9221 , CAS No.222318-55-0

CAS: 222318-55-0 Cat. No.: E1428014 PubChem CID: 9911796

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

(4E)-SUN9221 is a potent antagonist of α1-adrenergic receptor and 5-HT2 receptor , with antihypertensive and anti-platelet aggregation activities.

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

ANTAGONIST

Names and Identifiers

• Canonical Smiles: CN1CCC(=NO)C2=C(C1=O)N(C=C2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
• IUPAC Name: (4E)-1-[4-[4-(4-fluorobenzoyl)piperidin-1-yl]butyl]-4-hydroxyimino-7-methyl-5,6-dihydropyrrolo[2,3-c]azepin-8-one
• InChIKey: NJODDWBWSIFQMT-HPNDGRJYSA-N
• INCHI: 1S/C25H31FN4O3/c1-28-14-11-22(27-33)21-10-17-30(23(21)25(28)32)13-3-2-12-29-15-8-19(9-16-29)24(31)18-4-6-20(26)7-5-18/h4-7,10,17,19,33H,2-3,8-9,11-16H2,1H3/b27-22+
• Isomeric SMILES: CN1CC/C(=N\O)/C2=C(C1=O)N(C=C2)CCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
• PubChem CID: 9911796

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Pyrroloazepines 2-heteroaryl carboxamides Aryl alkyl ketones Benzoyl derivatives Fluorobenzenes Azepines Substituted pyrroles Piperidines Gamma-amino ketones Aryl fluorides Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Pyrroloazepine - 2-heteroaryl carboxamide - Benzoyl - Aryl alkyl ketone - Azepine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Gamma-aminoketone - Piperidine - Substituted pyrrole - Benzenoid - Pyrrole - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary aliphatic amine - Amino acid or derivatives - Tertiary amine - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organohalogen compound - Organofluoride - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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