merigolix - Moligand™ , Antagonist of GnRH 1 receptor, CAS No.1454272-94-6, Antagonist of GnRH 1 receptor

CAS: 1454272-94-6 Cat. No.: M611797 PubChem CID: 71727383

GRADE & PURITY Moligand™

Synonyms

HY-152856 | 4-{[(1R)-2-(1-{[2-Fluoro-6-(trifluoromethyl)phenyl]methyl}-2,4-dioxo-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,2,4,7-tetrahydro3H-spiro[furo[3,4-d]pyrimidine-5,4'-piperidin]-3-yl)-1-phenylethyl]amino}butanoic acid | LJPSGSMPGVITHK-MHZLTWQES

Storage

Room temperature

Specifications

Sinónimos

HY-152856 | 4-{[(1R)-2-(1-{[2-Fluoro-6-(trifluoromethyl)phenyl]methyl}-2,4-dioxo-1'-{[5-(trifluoromethyl)furan-2-yl]methyl}-1,2,4,7-tetrahydro3H-spiro[furo[3,4-d]pyrimidine-5,4'-piperidin]-3-yl)-1-phenylethyl]amino}butanoic acid | LJPSGSMPGVITHK-MHZLTWQES

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of GnRH 1 receptor

Nomes e identificadores

• Sorrisos canónicos: C1CN(CCC21c1c(CO2)n(c(=O)n(c1=O)C[C@@H](c1ccccc1)NCCCC(=O)O)Cc1c(cccc1F)C(F)(F)F)Cc1ccc(o1)C(F)(F)F
• IUPAC Name: 4-[[(1R)-2-[1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]-2,4-dioxo-1'-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[7H-furo[3,4-d]pyrimidine-5,4'-piperidine]-3-yl]-1-phenylethyl]amino]butanoic acid
• InChIKey: LJPSGSMPGVITHK-MHZLTWQESA-N
• INCHI: 1S/C36H35F7N4O6/c37-26-9-4-8-25(35(38,39)40)24(26)19-46-28-21-52-34(13-16-45(17-14-34)18-23-11-12-29(53-23)36(41,42)43)31(28)32(50)47(33(46)51)20-27(22-6-2-1-3-7-22)44-15-5-10-30(48)49/h1-4,6-9,11-12,27,44H,5,10,13-21H2,(H,48,49)/t27-/m0/s1
• SMILES isoméricas: C1CN(CCC12C3=C(CO2)N(C(=O)N(C3=O)C[C@@H](C4=CC=CC=C4)NCCCC(=O)O)CC5=C(C=CC=C5F)C(F)(F)F)CC6=CC=C(O6)C(F)(F)F
• PubChem CID: 71727383

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Gamma amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Gamma amino acids and derivatives
• Alternative Parents: Trifluoromethylbenzenes Pyrimidones Amino fatty acids Aralkylamines Fluorobenzenes Piperidines Aryl fluorides Vinylogous amides Heteroaromatic compounds Furans Ureas Trialkylamines Amino acids Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkyl ethers Dialkylamines Carbonyl compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Gamma amino acid or derivatives - Trifluoromethylbenzene - Amino fatty acid - Pyrimidone - Halobenzene - Aralkylamine - Fluorobenzene - Piperidine - Pyrimidine - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Fatty acyl - Vinylogous amide - Furan - Heteroaromatic compound - Urea - Lactam - Amino acid - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as gamma amino acids and derivatives. These are amino acids having a (-NH2) group attached to the gamma carbon 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

Alvos associados (humanos)

GNRHR Tclin Gonadotropin-releasing hormone receptor (0 Activities)

Discover Target: GNRHR

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

Perguntas frequentes

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 1454272-94-6. InChIKey LJPSGSMPGVITHK-MHZLTWQESA-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.