ONO-AE3-237 - Moligand™ , Antagonist of DP 1 receptor, CAS No.O612531, Antagonist of DP 1 receptor

CAS: O612531 Cat. No.: O612531 PubChem CID: 10227892

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

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 DP 1 receptor

名前と識別子

• カノニカル・スマイル: OC(=O)Cc1cccc2c1cc(n2C(=O)c1ccc(cc1)OC[C@@H]1CN(C)c2c(O1)ccc(c2)C)C
• IUPAC Name: 2-[1-[4-[[(2S)-4,6-dimethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]-2-methylindol-4-yl]acetic acid
• InChIKey: PDLHJVXUGHZZQP-QHCPKHFHSA-N
• INCHI: 1S/C29H28N2O5/c1-18-7-12-27-26(13-18)30(3)16-23(36-27)17-35-22-10-8-20(9-11-22)29(34)31-19(2)14-24-21(15-28(32)33)5-4-6-25(24)31/h4-14,23H,15-17H2,1-3H3,(H,32,33)/t23-/m0/s1
• 異性体SMILES: CC1=CC2=C(C=C1)O[C@@H](CN2C)COC3=CC=C(C=C3)C(=O)N4C(=CC5=C(C=CC=C54)CC(=O)O)C
• PubChem CID: 10227892

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Indoles and derivatives
      • Subclass Benzoylindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Indoles and derivatives
• Subclass: Benzoylindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoylindoles
• Alternative Parents: Indolyl carboxylic acids and derivatives Indolecarboxylic acids and derivatives Benzomorpholines Benzoxazines Benzoic acids and derivatives Indoles Phenoxy compounds Phenol ethers Benzoyl derivatives Dialkylarylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzoylindole - Indolecarboxylic acid derivative - Indolyl carboxylic acid derivative - Benzomorpholine - Benzoxazine - Benzoic acid or derivatives - Indole - Phenoxy compound - Benzoyl - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Alkyl aryl ether - Monocyclic benzene moiety - Substituted pyrrole - Oxazinane - Benzenoid - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Ether - Amine - Organic oxygen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzoylindoles. These are organic compounds containing an indole attached to a benzoyl moiety through the acyl 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

関連ターゲット（人間）

PTGDR Tclin Prostaglandin D2 receptor (1 Activities)

Discover Target: PTGDR

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

よくある質問

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 O612531. InChIKey PDLHJVXUGHZZQP-QHCPKHFHSA-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.