CAS 125971-95-1: 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate

Description: 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate, with CAS number 125971-95-1, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups such as dioxane, pyrrole, and aromatic rings. This compound exhibits chirality, indicated by the (4R,6R) configuration, suggesting that it may have distinct biological activity depending on its stereochemistry. The presence of a fluorophenyl group may enhance its lipophilicity and influence its interaction with biological targets. Additionally, the compound's dioxane moiety contributes to its potential solubility in organic solvents. Its potential applications could span pharmaceuticals, particularly in drug design, due to the presence of various functional groups that may interact with biological systems. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₄₀H₄₇FN₂O₅

InChI: InChI=1S/C40H47FN2O5/c1-26(2)36-35(38(45)42-30-16-12-9-13-17-30)34(27-14-10-8-11-15-27)37(28-18-20-29(41)21-19-28)43(36)23-22-31-24-32(47-40(6,7)46-31)25-33(44)48-39(3,4)5/h8-21,26,31-32H,22-25H2,1-7H3,(H,42,45)/t31-,32-/m1/s1

InChI key: InChIKey=NPPZOMYSGNZDKY-ROJLCIKYSA-N

SMILES: O=C(OC(C)(C)C)CC1OC(OC(CCN2C(C=3C=CC(F)=CC3)=C(C=4C=CC=CC4)C(C(=O)NC=5C=CC=CC5)=C2C(C)C)C1)(C)C

Synonyms:

• (4R,6R)-6-[2-[2-(4-Fluorophenyl)-5-(1-Methylethyl)-3-Phenyl-4-[(Phenylamino)Carbonyl]-1H-Pyrrol-1-Yl]Ethyl]-2,2-Dimethyl-1,3-Dioxane-4-Acetic Acid 1,1-Dimethylethyl Ester
• (4R-cis)-1,1-Dimethylethyl- 6-[2-[2-(4-fluorophenyl)-5-(1-isopropyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-(4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
• (4R-cis)-1,1-dimethylethyl-6-[2-[2-(4-fluorophenyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate(L-1)
• 1,1-Dimethylethyl (4R,6R)-6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxane-4-acetate
• 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R,6R)-
• 1,3-Dioxane-4-acetic acid, 6-[2-[2-(4-fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrol-1-yl]ethyl]-2,2-dimethyl-, 1,1-dimethylethyl ester, (4R-cis)-
• 3-Ethyl-5-(2-Hydroxyethyl)-4-Methyl-1,3-Thiazol-3-Ium Bromide
• Atorvastatin Calcium Intermediate L1
• AtorvastatinCalcium(L-1)
• L-1
• L-1(for Atorvastatin)
• Tert-Butyl (4R,6R)-2-[[[6-(2-4-Fluorophenyl)-5-Isopropyl-3-Phenyl-4-(Phenylcarbamoyl)Pyrrol-1-Yl]Ethyl]-2,2-Dimethyl-1,3-Dioxan-4-Yl]Acetate
• tert-Butyl (4R,6R)-2-[[[6-(2-4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate (L1)
• tert-butyl [(4R,6R)-6-{2-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl]acetate

tert-Butyl (4R,6R)-2-[6-[2-[2-(4-Fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)pyrrol-1-yl]ethyl]-2,2-dimethyl-1,3-dioxan-4-yl]acetate

CAS: 125971-95-1

• Formula: C₄₀H₄₇FN₂O₅
• Purity: >98.0%(HPLC)(N)
• Color and Shape: White to Almost white powder to crystal
• Molecular weight: 654.82

Atorvastatin Related Compound I (tert-Butyl 2-((4R,6R)-6-{2-[2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl]ethyl}-2,2-dimethyl-1,3-dioxan-4-yl)acetate)

CAS: 125971-95-1

Nucleic acids and their salts, whether or not chemically defined; other heterocyclic compounds, nesoi

• Formula: C₄₀H₄₇FN₂O₅
• Color and Shape: White Off-White Powder
• Molecular weight: 654.3469

(4R-CIS)-1,1-DIMETHYLETHYL-6-(2-(4-FLUOROPHENYL)-5-(1-ISOPROPYL)-3-PHENYL-4-((PHENYLAMINO)CARBONYL)-1H-PYRROL-1-YL)ETHYL)-2,2-DIMETHYL-1,3-DIOXANE-4-ACETATE

CAS: 125971-95-1

• Formula: C₄₀H₄₇FN₂O₅
• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 654.8099832000003

Atorvastatin Acetonide tert-Butyl Ester

CAS: 125971-95-1

• Formula: C₄₀H₄₇FN₂O₅
• Color and Shape: White To Off-White Solid
• Molecular weight: 654.82

1,1-Dimethylethyl (4R-cis)-6-[2-[2-(4-Fluorophenyl)-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1-H-pyrrol-1-yl]ethyl]-2,2-di-methyl-1,3-dioxane-4-acetate

CAS: 125971-95-1

• Formula: C₄₀H₄₇FN₂O₅
• Color and Shape: Neat
• Molecular weight: 654.81

Atorvastatin acetonide tert-butyl ester

CAS: 125971-95-1

Atorvastatin tert-butyl ester is a precursor for Atorvastatin salts, an HMG-CoA reductase inhibitor.

• Formula: C₄₀H₄₇FN₂O₅
• Color and Shape: White Solid Crystalline
• Molecular weight: 654.81

TERT-BUTYL (4R,6R)-2-[6-[2-[2-(4-FLUOROPHENYL)-5-ISOPROPYL-3-PHENYL-4-(PHENYLCARBAMOYL)PYRROL-1-YL]ETHYL]-2,2-DIMETHYL-1,3-DIOXAN-4-YL]ACETATE

CAS: 125971-95-1

• Purity: 98%
• Color and Shape: Solid
• Molecular weight: 654.822998046875

(1R,5S,6R)-Ethyl 5-(Pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate

CAS: 125971-95-1

Applications (1R,5S,6R)-Ethyl 5-(Pentan-3-yloxy)-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylate is the enantiomer of Ethyl (3R,4S,5S)-4,5-Epoxy-3-(1-ethylpropoxy)cyclohex-1-ene-1-carboxylate (E917820), an intermediate of Oseltamivir. References …

• Formula: C₄₀H₄₇FN₂O₅
• Color and Shape: Neat
• Molecular weight: 254.32

Atorvastatin Acetonide tert-Butyl Ester

CAS: 125971-95-1

Impurity Atorvastatin EP Impurity I Applications Atorvastatin Acetonide tert-Butyl Ester (Atorvastatin EP Impurity I) is …

• Formula: C₄₀H₄₇FN₂O₅
• Color and Shape: White Solid
• Molecular weight: 654.81

Atorvastatin acetonide tert-butyl ester

CAS: 125971-95-1

Atorvastatin intermediate

• Formula: C₄₀H₄₇FN₂O₅
• Purity: Min. 95%
• Molecular weight: 654.81 g/mol