PF-00489791 - Moligand™, ≥98% , Phosphodiesterase 5A inhibitor, CAS No.853003-48-2, Phosphodiesterase 5A inhibitor

CAS: 853003-48-2 Cat. No.: P612719 Peso molecular: 476.55

GRADE & PURITY Moligand™, ≥98%

Synonyms

1-(2-Ethoxyethyl)-5-(ethyl(methyl)amino)-7-((4-methylpyridin-2-yl)amino)-N-(methylsulfonyl)-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

PF-00489791 is a long-acting PDE5 inhibitor with hypotensive activity for the study of diabetic nephropathy.

Specifications

Sinónimos

1-(2-Ethoxyethyl)-5-(ethyl(methyl)amino)-7-((4-methylpyridin-2-yl)amino)-N-(methylsulfonyl)-1H-pyrazolo[4, 3-d]pyrimidine-3-carboxamide

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Phosphodiesterase 5A inhibitor

Pureza

≥98%

Propiedades del producto

• ALogP: 1.6

Nombres e identificadores

• Pubchem Sid: 528766589
• Sonrisas canónicas: CCOCCn1nc(c2c1c(Nc1nccc(c1)C)nc(n2)N(CC)C)C(=O)NS(=O)(=O)C
• IUPAC Name: 1-(2-ethoxyethyl)-5-(ethyl-methylamino)-7-[(4-methylpyridin-2-yl)amino]-N-methylsulfonylpyrazolo[5,4-e]pyrimidine-3-carboxamide
• InChIKey: ZUHZNKJIJDAJFD-UHFFFAOYSA-N
• INCHI: 1S/C20H28N8O4S/c1-6-27(4)20-23-15-16(19(29)26-33(5,30)31)25-28(10-11-32-7-2)17(15)18(24-20)22-14-12-13(3)8-9-21-14/h8-9,12H,6-7,10-11H2,1-5H3,(H,26,29)(H,21,22,23,24)
• Isómeros SMILES: CCN(C)C1=NC2=C(C(=N1)NC3=NC=CC(=C3)C)N(N=C2C(=O)NS(=O)(=O)C)CCOCC
• Peso molecular: 476.55

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyrazolopyrimidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyrazolopyrimidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrazolopyrimidines
• Alternative Parents: Pyrimidinecarboxamides Pyrazole-5-carboxamides Dialkylarylamines Methylpyridines Aminopyrimidines and derivatives Aminopyridines and derivatives Imidolactams Organosulfonic acids and derivatives Heteroaromatic compounds Aminosulfonyl compounds Dialkyl ethers Carboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrimidinecarboxamide - Pyrazolopyrimidine - Dialkylarylamine - Pyrazole-5-carboxamide - Aminopyridine - Aminopyrimidine - Methylpyridine - Pyridine - Imidolactam - Pyrimidine - Azole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Pyrazole - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrazolopyrimidines. These are compounds containing a pyrazolopyrimidine skeleton, which consists of a pyrazole fused to a pyrimidine. Pyrazole is 5-membered ring consisting of three carbon atoms and two adjacent nitrogen centers. Pyrimidine is 6-membered ring consisting of four carbon atoms and two adjacent nitrogen atoms at the 1- and 3- ring position.
• 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

Objetivos asociados (humanos)

PDE5A Tclin cGMP-specific 3',5'-cyclic phosphodiesterase (2 Activities)

Discover Target: PDE5A

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 476.600 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 10
• Exact Mass: 476.195 Da
• Monoisotopic Mass: 476.195 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 751.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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