Rec 15/3079 - Moligand™ , Antagonist of 5-HT 1A receptor, CAS No.R613116, Antagonist of 5-HT 1A receptor

CAS: R613116 Cat. No.: R613116 PubChem CID: 9847377

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of 5-HT 1A receptor

Namen und Kennungen

• Kanonisches Lächeln: COc1ccccc1N1CCN(CC1)CCN(c1ccccc1[N+](=O)[O-])C(=O)C1CCCCC1
• IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(2-nitrophenyl)cyclohexanecarboxamide
• InChIKey: HVMKWKIPLGPYAR-UHFFFAOYSA-N
• INCHI: 1S/C26H34N4O4/c1-34-25-14-8-7-13-24(25)28-18-15-27(16-19-28)17-20-29(26(31)21-9-3-2-4-10-21)22-11-5-6-12-23(22)30(32)33/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3
• Isomere SMILES: COC1=CC=CC=C1N2CCN(CC2)CCN(C3=CC=CC=C3[N+](=O)[O-])C(=O)C4CCCCC4
• PubChem CID: 9847377

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Aminophenyl ethers Anilides Nitrobenzenes Methoxyanilines Phenoxy compounds Anisoles Nitroaromatic compounds Methoxybenzenes Dialkylarylamines Alkyl aryl ethers N-alkylpiperazines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic oxides Organic salts Carbonyl compounds Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Aminophenyl ether - Nitrobenzene - Methoxyaniline - Anilide - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Tertiary aliphatic/aromatic amine - Methoxybenzene - Aniline or substituted anilines - Dialkylarylamine - Alkyl aryl ether - N-alkylpiperazine - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - C-nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic salt - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to 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

Zugehörige Ziele (menschlich)

HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)

Discover Target: HTR1A

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