BMS-986224 - Moligand™ , Agonist of apelin receptor, CAS No.B608156, Agonist of apelin receptor

CAS: B608156 Cat. No.: B608156 PubChem CID: 137106310

GRADE & PURITY Moligand™

Synonyms

3-[5-[(5-chloropyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one | HY-139485 | BDBM406533 | N5O33BF03F | 2(1H)-Pyridinone,3-(5-((5-chloro-2-pyridinyl)methyl)-1,3,4-oxadiazol-2-yl)- 5-(2,6-dimeth

Storage

Room temperature

Specifications

Synonyms

3-[5-[(5-chloropyridin-2-yl)methyl]-1, 3, 4-oxadiazol-2-yl]-5-(2, 6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one | HY-139485 | BDBM406533 | N5O33BF03F | 2(1H)-Pyridinone, 3-(5-((5-chloro-2-pyridinyl)methyl)-1, 3, 4-oxadiazol-2-yl)- 5-(2, 6-dimeth

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of apelin receptor

Names and Identifiers

• Canonical Smiles: CCOCc1c(c(c(c(=O)[nH]1)c1nnc(o1)Cc1ncc(cc1)Cl)O)c1c(cccc1OC)OC
• IUPAC Name: 3-[5-[(5-chloropyridin-2-yl)methyl]-1,3,4-oxadiazol-2-yl]-5-(2,6-dimethoxyphenyl)-6-(ethoxymethyl)-4-hydroxy-1H-pyridin-2-one
• InChIKey: AGZKELPIAJYRDT-UHFFFAOYSA-N
• INCHI: 1S/C24H23ClN4O6/c1-4-34-12-15-19(20-16(32-2)6-5-7-17(20)33-3)22(30)21(23(31)27-15)24-29-28-18(35-24)10-14-9-8-13(25)11-26-14/h5-9,11H,4,10,12H2,1-3H3,(H2,27,30,31)
• Isomeric SMILES: CCOCC1=C(C(=C(C(=O)N1)C2=NN=C(O2)CC3=NC=C(C=C3)Cl)O)C4=C(C=CC=C4OC)OC
• PubChem CID: 137106310

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Dimethoxybenzenes Phenoxy compounds Anisoles Pyridinones Hydroxypyridines Dihydropyridines Alkyl aryl ethers Aryl chlorides Vinylogous acids Heteroaromatic compounds 1,3,4-oxadiazoles Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Hydroxypyridine - Pyridinone - Dihydropyridine - Alkyl aryl ether - Benzenoid - Hydropyridine - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Heteroaromatic compound - Vinylogous acid - Oxadiazole - Azole - 1,3,4-oxadiazole - Lactam - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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)

APLNR Tchem Apelin receptor (4 Activities)

Discover Target: APLNR

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

Associated Targets(non-human)

Aplnr Apelin receptor (201 Activities)

Discover Target: Aplnr

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action