CAS 1421760-64-6

1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)-

Description:

1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)- is a complex organic compound characterized by its multi-functional structure, which includes a pyrrole ring, multiple hydroxyl groups, and various aromatic substituents. The presence of a sodium salt indicates its ionic nature, which may enhance its solubility in aqueous environments. The compound features a heptanoic acid moiety, suggesting potential fatty acid-like properties, while the fluorophenyl and hydroxyphenyl groups may impart specific biological activities or interactions. Its stereochemistry, denoted by the (βR,δR) configuration, indicates the presence of chiral centers, which can influence its pharmacological properties and interactions with biological targets. This compound may be of interest in medicinal chemistry, particularly for its potential therapeutic applications, but detailed studies would be necessary to elucidate its specific biological effects and mechanisms of action.

Formula: C₃₃H₃₅FN₂O₆·2H₂O·Na

InChI: InChI=1S/C33H35FN2O6.Na.2H2O/c1-20(2)31-30(33(42)35-26-10-6-7-11-27(26)39)29(21-8-4-3-5-9-21)32(22-12-14-23(34)15-13-22)36(31)17-16-24(37)18-25(38)19-28(40)41;;;/h3-15,20,24-25,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41);;2*1H2/t24-,25-;;;/m1.../s1

InChI key: InChIKey=FKNHWXQDRWVDJC-ZDASDOCVSA-N

SMILES: C(NC1=C(O)C=CC=C1)(=O)C=2C(=C(N(CC[C@H](C[C@H](CC(O)=O)O)O)C2C(C)C)C3=CC=C(F)C=C3)C4=CC=CC=C4.[Na].O

Synonyms:

• 1H-Pyrrole-1-heptanoic acid, 2-(4-fluorophenyl)-β,δ-dihydroxy-4-[[(2-hydroxyphenyl)amino]carbonyl]-5-(1-methylethyl)-3-phenyl-, sodium salt, hydrate (1:1:2), (βR,δR)-

2-Hydroxy Atorvastatin Dihydrate Monosodium Salt

CAS: 1421760-64-6

Applications A metabolite of Atorvastatin, a selective, competitive HMG-CoA reductase inhibitor. Atorvastatin is the only drug in its class specfically indicated for lowering both elevated LDL-cholesterol and triglycerides in patients with hypercholesterolemia.
References Smith, S., et al.: Am. J. Cardiol., 80, 10H (1997), Jacobsen, W., et al.: Drug Metab. Dispos., 28, 1369 (2000), Istvan, E., et al.: Science, 292, 1160 (2001), Tabernero, L., et al.: J. Biol. Chem., 278, 19933 (2003), Bratton, L., et al.: Bioorg. Med. Chem., 15, 5576 (2007),

Formula: C₃₃H₃₈FN₂NaO₈

Color and Shape: Neat

Molecular weight: 632.65

Ref: TR-H828950