YM44781 - Moligand™ , Antagonist of NK 2 receptor, CAS No.Y614926, Antagonist of NK 2 receptor

CAS: Y614926 Cat. No.: Y614926 PubChem CID: 10483085

GRADE & PURITY Moligand™

Synonyms

YM 44781;YM-44781

Storage

Room temperature

Specifications

Sinonimi

YM 44781;YM-44781

Specifiche e purezza

Moligand™

Condizioni di conservazione di stoccaggio

Room temperature

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Antagonist of NK 2 receptor

Nomi e identificatori

• Sorrisi canonici: O=C1Cc2ccccc2C2(N1)CCN(CC2)CCC(c1ccc(c(c1)Cl)Cl)CN(C(=O)c1ccc(cc1)F)C
• IUPAC Name: N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-4-fluoro-N-methylbenzamide
• InChIKey: MIXOPBNZLJBQJH-UHFFFAOYSA-N
• INCHI: 1S/C31H32Cl2FN3O2/c1-36(30(39)21-6-9-25(34)10-7-21)20-24(22-8-11-27(32)28(33)18-22)12-15-37-16-13-31(14-17-37)26-5-3-2-4-23(26)19-29(38)35-31/h2-11,18,24H,12-17,19-20H2,1H3,(H,35,38)
• Isomeri SMILES: CN(CC(CCN1CCC2(CC1)C3=CC=CC=C3CC(=O)N2)C4=CC(=C(C=C4)Cl)Cl)C(=O)C5=CC=C(C=C5)F
• PubChem CID: 10483085

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Isoquinolines and derivatives
      • Subclass Isoquinolones and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Tetrahydroisoquinolines 4-halobenzoic acids and derivatives Benzamides Dichlorobenzenes Benzoyl derivatives Aralkylamines Fluorobenzenes Piperidines Aryl chlorides Aryl fluorides Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Tetrahydroisoquinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Benzoyl - 1,2-dichlorobenzene - Aralkylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Tertiary carboxylic acid amide - Tertiary amine - Secondary carboxylic acid amide - Lactam - Carboxamide group - Amino acid or derivatives - Tertiary aliphatic amine - Azacycle - Carboxylic acid derivative - Organochloride - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Aromatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
• 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

Obiettivi associati (umani)

TACR2 Tchem Substance-K receptor (1 Activities)

Discover Target: TACR2

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

Domande frequenti

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 Y614926. InChIKey MIXOPBNZLJBQJH-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.