MRS2950 - Moligand™ , Antagonist of P2Y 1 receptor, CAS No.M612060, Antagonist of P2Y 1 receptor

CAS: M612060 Cat. No.: M612060 PubChem CID: 73755158

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of P2Y 1 receptor

Names and Identifiers

• Canonical Smiles: O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(cc1)S(=C)(=C)Nc1onc(c1C)C
• IUPAC Name: 1-(3,4-dichlorophenyl)-3-[4-[[(3,4-dimethyl-1,2-oxazol-5-yl)amino]-dimethylidene-$l^{6}-sulfanyl]phenyl]urea
• InChIKey: ZRNSPTWPSVBOTC-UHFFFAOYSA-N
• INCHI: 1S/C20H20Cl2N4O2S/c1-12-13(2)25-28-19(12)26-29(3,4)16-8-5-14(6-9-16)23-20(27)24-15-7-10-17(21)18(22)11-15/h5-11,26H,3-4H2,1-2H3,(H2,23,24,27)
• Isomeric SMILES: CC1=C(ON=C1C)NS(=C)(=C)C2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
• PubChem CID: 73755158

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass N-phenylureas

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: N-phenylureas
• Intermediate Tree Nodes: Not available
• Direct Parent: N-phenylureas
• Alternative Parents: Dichlorobenzenes Aryl chlorides Isoxazoles Heteroaromatic compounds Ureas Oxacyclic compounds Azacyclic compounds Organosulfur compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-phenylurea - 1,2-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Isoxazole - Urea - Oxacycle - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as n-phenylureas. These are compounds containing a N-phenylurea moiety, which is structurally characterized by a phenyl group linked to one nitrogen atom of a urea 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

Associated Targets(Human)

P2RY1 Tchem P2Y purinoceptor 1 (1 Activities)

Discover Target: P2RY1

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