ONO-9910539 - Moligand™ , Antagonist of LPA 1 receptor, CAS No.O612524, Antagonist of LPA 1 receptor

CAS: O612524 Cat. No.: O612524 PubChem CID: 91799237

GRADE & PURITY Moligand™

Synonyms

ON9

Storage

Room temperature

Specifications

Sinónimos

ON9

Especificações e pureza

Moligand™

Condições de armazenamento de armazenamento

Room temperature

Grau

Moligand™

Tipo de ação

ANTAGONIST

Mecanismo de ação

Antagonist of LPA 1 receptor

Nomes e identificadores

Sorrisos canónicos

COC(=O)c1cn(cc1CCC(=O)O)C[C@@H]([C@@H](c1cc(OC)c(c(c1)OC)C(=O)C)O)CC1Cc2c(C1)cccc2

IUPAC Name

3-[1-[(2S,3S)-3-(4-acetyl-3,5-dimethoxyphenyl)-2-(2,3-dihydro-1H-inden-2-ylmethyl)-3-hydroxypropyl]-4-methoxycarbonylpyrrol-3-yl]propanoic acid

InChIKey

URHZQBASTULQKJ-VVFBEHOQSA-N

INCHI

1S/C32H37NO8/c1-19(34)30-27(39-2)14-24(15-28(30)40-3)31(37)25(13-20-11-21-7-5-6-8-22(21)12-20)17-33-16-23(9-10-29(35)36)26(18-33)32(38)41-4/h5-8,14-16,18,20,25,31,37H,9-13,17H2,1-4H3,(H,35,36)/t25-,31+/m0/s1

SMILES isoméricas

CC(=O)C1=C(C=C(C=C1OC)[C@H]([C@@H](CC2CC3=CC=CC=C3C2)CN4C=C(C(=C4)C(=O)OC)CCC(=O)O)O)OC

PubChem CID

91799237

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Dimethoxybenzenes Indanes Acetophenones Aryl alkyl ketones Benzoyl derivatives Anisoles Phenoxy compounds Pyrrole carboxylic acids and derivatives Alkyl aryl ethers Substituted pyrroles Methyl esters Heteroaromatic compounds Vinylogous amides Secondary alcohols Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Aromatic alcohols Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl-phenylketone - Dimethoxybenzene - M-dimethoxybenzene - Acetophenone - Indane - Pyrrole-3-carboxylic acid or derivatives - Phenol ether - Phenoxy compound - Aryl alkyl ketone - Benzoyl - Anisole - Methoxybenzene - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Methyl ester - Heteroaromatic compound - Carboxylic acid ester - Secondary alcohol - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Aromatic alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Alvos associados (humanos)

LPAR1 Tchem Lysophosphatidic acid receptor 1 (1 Activities)

Discover Target: LPAR1

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 O612524. InChIKey URHZQBASTULQKJ-VVFBEHOQSA-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.