Finerenone - Moligand™, ≥99% , Antagonist of Mineralocorticoid receptor, CAS No.1050477-31-0, Antagonist of Mineralocorticoid receptor

CAS: 1050477-31-0 Cat. No.: F414467 Formule: C₂₁H₂₂N₄O₃ Poids moléculaire: 378.42 Numéro CE: 814-499-5

GRADE & PURITY Moligand™, ≥99%

Synonyms

AMY9115 | FINERENONE [INN] | GTPL8678 | (S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide | finerenonum | Kerendia | AC-30916 | BCP24177 | F53302 | Finerenone (JAN/USAN/INN) | FINERENONE [WHO-DD] | Finerenon

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Information

Finerenone Finerenone (FIN, BAY 94-8862) is a highly selective and orally available nonsteroidal antagonist of mineralocorticoid receptor (MR) with IC50 of 18 nM. Finerenone has the potential for cardiorenal diseases research, such as type 2 diabetes mellitus and chronic kidney disease.

Targets

MR (Cell-free assay) 18 nM

In vitro

Finerenone dose-dependently reduces aldosterone-induced smooth muscle cell (SMC) proliferation and prevents aldosteroneinduced endothelial cell (EC) apoptosis. Finerenone significantly reduces apoptosis of ECs and simultaneously attenuates SMC proliferation, resulting in accelerated endothelial healing and reduced neointima formation of the injured vessels.

In vivo

Finerenone improves endothelial dysfunction through an enhancement in NO bioavailability and a decrease in superoxide anion levels due to an upregulation in SOD activity. This is associated with an increase in renal SOD activity and a reduction of albuminuria.

Cell Research(from reference)

Cell lines：Human coronary artery smooth muscle cells (SMC), human umbilical vein endothelial cells (EC) 

Concentrations：1 nM, 10 nM 

Incubation Time：24 h 

Specifications

Synonymes

AMY9115 | FINERENONE [INN] | GTPL8678 | (S)-4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide | finerenonum | Kerendia | AC-30916 | BCP24177 | F53302 | Finerenone (JAN/USAN/INN) | FINERENONE [WHO-DD] | Finerenon

Spécifications et pureté

Moligand™, ≥99%

Mécanismes biochimiques et physiologiques

Finerenone (FIN, BAY 94-8862) is a highly selective and orally available nonsteroidal antagonist of mineralocorticoid receptor (MR) with IC50 of 18 nM. Finerenone has the potential for cardiorenal diseases research, such as type 2 diabetes mellitus and ch

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ANTAGONIST

Mécanisme d'action

Antagonist of Mineralocorticoid receptor

Pureté

≥99%

Noms et identifiants

Sourires canoniques

CCOC1=NC=C(C2=C1C(C(=C(N2)C)C(=O)N)C3=C(C=C(C=C3)C#N)OC)C

IUPAC Name

(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

InChIKey

BTBHLEZXCOBLCY-QGZVFWFLSA-N

INCHI

1S/C21H22N4O3/c1-5-28-21-18-17(14-7-6-13(9-22)8-15(14)27-4)16(20(23)26)12(3)25-19(18)11(2)10-24-21/h6-8,10,17,25H,5H2,1-4H3,(H2,23,26)/t17-/m1/s1

Isomères SMILES

CCOC1=NC=C(C2=C1[C@@H](C(=C(N2)C)C(=O)N)C3=C(C=C(C=C3)C#N)OC)C

Poids moléculaire

378.42

Reaxy-Rn

20290139

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20290139&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Diazanaphthalenes
      • Subclass Naphthyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazanaphthalenes
• Subclass: Naphthyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthyridines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Benzonitriles Secondary alkylarylamines Alkyl aryl ethers Methylpyridines Vinylogous amides Heteroaromatic compounds Primary carboxylic acid amides Amino acids and derivatives Nitriles Enamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthyridine - Phenoxy compound - Anisole - Benzonitrile - Phenol ether - Methoxybenzene - Alkyl aryl ether - Methylpyridine - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary amine - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Ether - Enamine - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as naphthyridines. These are compounds containing a naphthyridine moiety, a naphthalene in which a carbon atom has been replaced by a nitrogen in each of the two rings. The naphthyridine skeleton can also be described as an assembly two fused pyridine rings, which do not share their nitrogen atom.
• 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

Cibles associées (humaines)

NR3C2 Tclin Mineralocorticoid receptor (1 Activities)

Discover Target: NR3C2

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

Propriétés chimiques et physiques

• Solubilité: Solubility (25°C) In vitro DMSO: 76 mg/mL (200.83 mM); Ethanol: 10 mg/mL (26.42 mM); Water: Insoluble
• Poids moléculaire: 378.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 378.169 Da
• Monoisotopic Mass: 378.169 Da
• Topological Polar Surface Area: 110.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 670.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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