ChemicalBook--->CAS DataBase List--->1050477-27-4

1050477-27-4

1050477-27-4 Structure

1050477-27-4 Structure
IdentificationBack Directory
[Name]

4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
[CAS]

1050477-27-4
[Synonyms]

(Rac)-Finerenone
(Rac)-BAY 94-8862
4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-1,6-naphthyridine-3-carboxamide
4-(4-Cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide
1,6-Naphthyridine-3-carboxamide, 4-(4-cyano-2-methoxyphenyl)-5-ethoxy-1,4-dihydro-2,8-dimethyl-
[EINECS(EC#)]

810-201-2
[Molecular Formula]

C21H22N4O3
[MDL Number]

MFCD32204860
[MOL File]

1050477-27-4.mol
[Molecular Weight]

378.42
Chemical PropertiesBack Directory
[Boiling point ]

554.7±50.0 °C(Predicted)
[density ]

1.29±0.1 g/cm3(Predicted)
[vapor pressure ]

0Pa at 25℃
[solubility ]

DMSO : 62.5 mg/mL (165.16 mM; Need ultrasonic)
[form ]

Solid
[pka]

14.76±0.40(Predicted)
[color ]

White to off-white
[Water Solubility ]

18.3mg/L at 20℃
[InChI]

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)
[InChIKey]

BTBHLEZXCOBLCY-UHFFFAOYSA-N
[SMILES]

N1C2=C(C(OCC)=NC=C2C)C(C2=CC=C(C#N)C=C2OC)C(C(N)=O)=C1C
[LogP]

2.59 at 25℃
Safety DataBack Directory
[Symbol(GHS) ]

Health Hazard (GHS08)Skull and Crossbones (GHS06)
GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H360-H373-H301
[Precautionary statements ]

P260-P314-P501-P264-P270-P301+P310-P321-P330-P405-P501
[REACH Registrations]

Active
Hazard InformationBack Directory
[Uses]

(Rac)-Finerenone ((Rac)-BAY 94-8862) is the racemate of Finerenone. Finerenone is a third-generation, selective, and orally available nonsteroidal mineralocorticoid receptor (MR) antagonist (IC50=18 nM). Finerenone displays excellent selectivity versus glucocorticoid receptor (GR), androgen receptor (AR), and progesterone receptor (>500-fold)[1].
[Flammability and Explosibility]

Notclassified
[References]

[1] B?rfacker L, et al. Discovery of BAY 94-8862: a nonsteroidal antagonist of the mineralocorticoid receptor for the treatment of cardiorenal diseases. ChemMedChem. 2012;7(8):1385-1403. DOI:10.1002/cmdc.201200081
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