Azelaprag - Moligand™, ≥98% , CAS No.2049980-18-7

CAS: 2049980-18-7 Cat. No.: A650915 Formula: C₂₅H₂₉N₇O₄S Peso molecolare: 523.61 PubChem CID: 122702529

GRADE & PURITY Moligand™, ≥98%

Synonyms

2049980-18-7 | Azelaprag [INN] | AKOS040741204 | AMG986 | AMG-986 | Azelaprag | BDBM363380 | (2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methyl-2-pyrazinyl)-2-butanesulfonamide | GTPL10061 | 2-Pyrimidineethanesu

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

Azelaprag (Example 263.0) is an apelin receptor agonist agent candidate

IC50& Target:Apelin receptor

Specifications

Sinonimi

2049980-18-7 | Azelaprag [INN] | AKOS040741204 | AMG986 | AMG-986 | Azelaprag | BDBM363380 | (2S,3R)-N-(4-(2,6-dimethoxyphenyl)-5-(5-methyl-3-pyridinyl)-4H-1,2,4-triazol-3-yl)-3-(5-methyl-2-pyrazinyl)-2-butanesulfonamide | GTPL10061 | 2-Pyrimidineethanesu

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

Azelaprag (Example 263.0) is an apelin receptor agonist agent candidate.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

AGONIST

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528763348

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528763348

Sorrisi canonici

CC1=CC(=CN=C1)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)C(C)C(C)C4=NC=C(C=N4)C

IUPAC Name

(2S,3R)-N-[4-(2,6-dimethoxyphenyl)-5-(5-methylpyridin-3-yl)-1,2,4-triazol-3-yl]-3-(5-methylpyrimidin-2-yl)butane-2-sulfonamide

InChIKey

DOMQFIFVDIAOOT-ROUUACIJSA-N

INCHI

1S/C25H29N7O4S/c1-15-10-19(14-26-11-15)24-29-30-25(32(24)22-20(35-5)8-7-9-21(22)36-6)31-37(33,34)18(4)17(3)23-27-12-16(2)13-28-23/h7-14,17-18H,1-6H3,(H,30,31)/t17-,18-/m0/s1

Isomeri SMILES

CC1=CC(=CN=C1)C2=NN=C(N2C3=C(C=CC=C3OC)OC)NS(=O)(=O)[C@@H](C)[C@H](C)C4=NC=C(C=N4)C

CAS alternativo

2049980-18-7

PubChem CID

122702529

Peso molecolare

523.61

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Pyridyltriazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Pyridyltriazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridyl-1,2,4-triazoles
• Alternative Parents: Phenyl-1,2,4-triazoles Dimethoxybenzenes Methoxyanilines Phenoxy compounds Anisoles Methylpyridines Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Organosulfonamides Organic sulfonamides Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridyl-1,2,4-triazole - Phenyl-1,2,4-triazole - Phenyltriazole - M-dimethoxybenzene - Dimethoxybenzene - Methoxyaniline - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Methylpyridine - Alkyl aryl ether - Benzenoid - Organosulfonic acid amide - Organic sulfonic acid amide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - 1,2,4-triazole - Triazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring.
• 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

Obiettivi associati (umani)

APLNR Tchem Apelin receptor (1 Activities)

Discover Target: APLNR

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 523.600 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 9
• Exact Mass: 523.2 Da
• Monoisotopic Mass: 523.2 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 810.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1