YM44778 - Moligand™ , Antagonist of NK 2 receptor, CAS No.Y614925, Antagonist of NK 2 receptor

CAS: Y614925 Cat. No.: Y614925 PubChem CID: 9852373

GRADE & PURITY Moligand™

Synonyms

YM-44778

Storage

Room temperature

Specifications

同義語

YM-44778

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of NK 2 receptor

名前と識別子

• カノニカル・スマイル: COc1cc(cc(c1OC)OC)C(=O)N(CC(c1ccc(c(c1)Cl)Cl)CCN1CCC2(CC1)NC(=O)Cc1c2cccc1)C
• IUPAC Name: N-[2-(3,4-dichlorophenyl)-4-(3-oxospiro[2,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)butyl]-3,4,5-trimethoxy-N-methylbenzamide
• InChIKey: RMRHFQVHSFCBEO-UHFFFAOYSA-N
• INCHI: 1S/C34H39Cl2N3O5/c1-38(33(41)25-18-29(42-2)32(44-4)30(19-25)43-3)21-24(22-9-10-27(35)28(36)17-22)11-14-39-15-12-34(13-16-39)26-8-6-5-7-23(26)20-31(40)37-34/h5-10,17-19,24H,11-16,20-21H2,1-4H3,(H,37,40)
• 異性体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)OC)OC)OC
• PubChem CID: 9852373

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Isoquinolines and derivatives
• Subclass: Isoquinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoquinolones and derivatives
• Alternative Parents: Tetrahydroisoquinolines Benzamides Phenoxy compounds Methoxybenzenes Anisoles Dichlorobenzenes Benzoyl derivatives Alkyl aryl ethers Aralkylamines Piperidines Aryl chlorides Tertiary carboxylic acid amides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoquinolone - Tetrahydroisoquinoline - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Anisole - Methoxybenzene - 1,2-dichlorobenzene - Phenol ether - Benzoyl - Alkyl aryl ether - Halobenzene - Aralkylamine - Chlorobenzene - Aryl chloride - Piperidine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Tertiary carboxylic acid amide - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Aromatic heteropolycyclic compound
• 説明: 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

関連ターゲット（人間）

TACR2 Tchem Substance-K receptor (1 Activities)

Discover Target: TACR2

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