SR101099 - Moligand™ , Antagonist of UT receptor, CAS No.S613689, Antagonist of UT receptor

CAS: S613689 Cat. No.: S613689

GRADE & PURITY Moligand™

Synonyms

SAR 101099;SAR-101099

Storage

Room temperature

Specifications

同義語

SAR 101099;SAR-101099

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 UT receptor

名前と識別子

• カノニカル・スマイル: CN(CCCOc1cc(ccc1Cl)c1nc(ccc1c1ccccc1C)C(=O)NC1(CCCCC1)C(=O)O)C
• IUPAC Name: 1-[[6-[4-chloro-3-[3-(dimethylamino)propoxy]phenyl]-5-(2-methylphenyl)pyridine-2-carbonyl]amino]cyclohexane-1-carboxylic acid
• InChIKey: XCIGPFMHSRYJDG-UHFFFAOYSA-N
• INCHI: 1S/C31H36ClN3O4/c1-21-10-5-6-11-23(21)24-13-15-26(29(36)34-31(30(37)38)16-7-4-8-17-31)33-28(24)22-12-14-25(32)27(20-22)39-19-9-18-35(2)3/h5-6,10-15,20H,4,7-9,16-19H2,1-3H3,(H,34,36)(H,37,38)
• 異性体SMILES: CC1=CC=CC=C1C2=C(N=C(C=C2)C(=O)NC3(CCCCC3)C(=O)O)C4=CC(=C(C=C4)Cl)OCCCN(C)C.Cl
• Reaxy-Rn: 19748311
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19748311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 N-acyl-alpha amino acids and derivatives
              • Level8 N-acyl-alpha amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - N-acyl-alpha amino acids and derivatives
• Direct Parent: N-acyl-alpha amino acids
• Alternative Parents: Phenylpyridines Pyridinecarboxylic acids and derivatives Phenoxy compounds Phenol ethers 2-heteroaryl carboxamides Toluenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Carbonyl compounds Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-acyl-alpha-amino acid - 2-phenylpyridine - 3-phenylpyridine - Pyridine carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Aryl chloride - Pyridine - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Ether - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
• 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）

UTS2R Tchem Urotensin-2 receptor (0 Activities)

Discover Target: UTS2R

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