CAS 95445-79-7

3-Methyl 5-(1-methylethyl) 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate

Description:

3-Methyl 5-(1-methylethyl) 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate, with the CAS number 95445-79-7, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups such as esters, halogens, and a pyridine ring. This compound is likely to exhibit significant biological activity due to its intricate arrangement of substituents, which can influence its interaction with biological targets. The presence of fluorine and chlorine atoms suggests potential applications in pharmaceuticals, as these halogens can enhance the lipophilicity and metabolic stability of the compound. Additionally, the dihydropyridine moiety may contribute to its pharmacological properties, possibly acting as a calcium channel blocker or influencing other biochemical pathways. Its synthesis and characterization would involve standard organic chemistry techniques, including NMR, mass spectrometry, and possibly X-ray crystallography to elucidate its three-dimensional structure. Safety and handling precautions are essential due to the presence of halogenated components, which may pose environmental and health risks.

Formula: C₂₀H₁₉ClF₅NO₄

InChI: InChI=1S/C20H19ClF5NO4/c1-8(2)31-19(29)13-9(3)27-12(7-22)15(18(28)30-4)16(13)14-11(23)6-5-10(21)17(14)20(24,25)26/h5-6,8,16,27H,7H2,1-4H3

InChI key: InChIKey=OBWJAVIHPMZUHG-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C(C(C(OC(C)C)=O)=C(C)NC1CF)C2=C(C(F)(F)F)C(Cl)=CC=C2F

Synonyms:

• 3-Methyl 5-(1-methylethyl) 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2-(fluoromethyl)-1,4-dihydro-6-methyl-3,5-pyridinedicarboxylate
• 3,5-Pyridinedicarboxylic acid, 4-[3-chloro-6-fluoro-2-(trifluoromethyl)phenyl]-2-(fluoromethyl)-1,4-dihydro-6-methyl-, 3-methyl 5-(1-methylethyl) ester
• FPL 62129

FPL-62129

CAS: 95445-79-7

FPL-62129

Purity: ≥98%

Molecular weight: 467.81g/mol

Ref: 54-BUP03431

FPL-62129

CAS: 95445-79-7

FPL-62129 is a calcium channel antagonist and a novel angiotensin-converting enzyme inhibitor with vasodilator activity for the study of cardiovascular disease.

Formula: C₂₀H₁₉ClF₅NO₄

Purity: 98.27% - 99.34%

Color and Shape: Solid

Molecular weight: 467.81

Ref: TM-T27357