ARRY-502 - Moligand™ , Antagonist of DP 2 receptor, CAS No.1202891-16-4, Antagonist of DP 2 receptor

CAS: 1202891-16-4 Cat. No.: A607741 PubChem CID: 131633366

GRADE & PURITY Moligand™

Synonyms

GTPL10179 | 2H-1-Benzopyran-4-carboxylic acid, 6-chloro-7-[4-[[[2-(4-chloro-2-methoxyphenyl)ethyl]amino]carbonyl]phenoxy]-3,4-dihydro-, (4S)- | DTXSID901103571 | ARRY502 | ARRY-502 | (4S)-6-Chloro-7-[4-[[[2-(4-chloro-2-methoxyphenyl)ethyl]amino]carbonyl]p

Storage

Room temperature

Specifications

Synonyms

GTPL10179 | 2H-1-Benzopyran-4-carboxylic acid, 6-chloro-7-[4-[[[2-(4-chloro-2-methoxyphenyl)ethyl]amino]carbonyl]phenoxy]-3, 4-dihydro-, (4S)- | DTXSID901103571 | ARRY502 | ARRY-502 | (4S)-6-Chloro-7-[4-[[[2-(4-chloro-2-methoxyphenyl)ethyl]amino]carbonyl]p

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of DP 2 receptor

Names and Identifiers

• Canonical Smiles: COc1cc(Cl)ccc1CCNC(=O)c1ccc(cc1)Oc1cc2OCC[C@@H](c2cc1Cl)C(=O)O
• InChIKey: QIDYUNXQPQEJEC-IBGZPJMESA-N
• INCHI: 1S/C26H23Cl2NO6/c1-33-22-12-17(27)5-2-15(22)8-10-29-25(30)16-3-6-18(7-4-16)35-24-14-23-20(13-21(24)28)19(26(31)32)9-11-34-23/h2-7,12-14,19H,8-11H2,1H3,(H,29,30)(H,31,32)/t19-/m0/s1
• Isomeric SMILES: COC1=C(C=CC(=C1)Cl)CCNC(=O)C2=CC=C(C=C2)OC3=C(C=C4[C@H](CCOC4=C3)C(=O)O)Cl
• PubChem CID: 131633366

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: 1-benzopyrans Benzamides Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Secondary carboxylic acid amides Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diaryl ether - 1-benzopyran - Benzopyran - Chromane - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

Associated Targets(Human)

PTGDR2 Tchem Prostaglandin D2 receptor 2 (1 Activities)

Discover Target: PTGDR2

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