YM49598 - Moligand™ , Antagonist of NK 2 receptor, CAS No.Y614928, Antagonist of NK 2 receptor

CAS: Y614928 Cat. No.: Y614928 PubChem CID: 10327625

GRADE & PURITY Moligand™

Synonyms

YM-49598

Storage

Room temperature

Specifications

Synonyme

YM-49598

Spezifikationen & Reinheit

Moligand™

Storage

Room temperature

Note

Moligand™

Aktionsart

ANTAGONIST

Mechanismus der Wirkung

Antagonist of NK 2 receptor

Namen und Kennungen

• Kanonisches Lächeln: CC(Oc1cccc(c1)CC(=O)N1CCCC(C1)(CC[N+]1(C)CCC(CC1)c1ccccc1)c1ccc(c(c1)Cl)Cl)C
• IUPAC Name: 1-[3-(3,4-dichlorophenyl)-3-[2-(1-methyl-4-phenylpiperidin-1-ium-1-yl)ethyl]piperidin-1-yl]-2-(3-propan-2-yloxyphenyl)ethanone
• InChIKey: QRSSYNAUQYYMPH-UHFFFAOYSA-N
• INCHI: 1S/C36H45Cl2N2O2/c1-27(2)42-32-12-7-9-28(23-32)24-35(41)39-19-8-17-36(26-39,31-13-14-33(37)34(38)25-31)18-22-40(3)20-15-30(16-21-40)29-10-5-4-6-11-29/h4-7,9-14,23,25,27,30H,8,15-22,24,26H2,1-3H3/q+1
• Isomere SMILES: CC(C)OC1=CC=CC(=C1)CC(=O)N2CCCC(C2)(CC[N+]3(CCC(CC3)C4=CC=CC=C4)C)C5=CC(=C(C=C5)Cl)Cl
• PubChem CID: 10327625

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Phenylacetamides N-acylpiperidines Phenoxy compounds Phenol ethers Dichlorobenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides Tetraalkylammonium salts Tertiary carboxylic acid amides Azacyclic compounds Organochlorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Phenylacetamide - N-acyl-piperidine - Phenoxy compound - 1,2-dichlorobenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Quaternary ammonium salt - Tertiary carboxylic acid amide - Tetraalkylammonium salt - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine 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)

TACR2 Tchem Substance-K receptor (1 Activities)

Discover Target: TACR2

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

Häufig gestellte Fragen

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is Y614928. InChIKey QRSSYNAUQYYMPH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.