CAS 125971-95-1: 1,1-Dimetiletil (4R,6R)-6-[2-[2-(4-fluorofenil)-5-(1-metiletil)-3-fenil-4-[(fenilamino)carbonil]-1H-pirrol-1-il]etil]-2,2-dimetil-1,3-dioxano-4-acetato

Descripción: 1,1-Dimetiletil (4R,6R)-6-[2-[2-(4-fluorofenil)-5-(1-metiletil)-3-fenil-4-[(fenilamino)carbonil]-1H-pirrol-1-il]etil]-2,2-dimetil-1,3-dioxano-4-acetato, con número CAS 125971-95-1, es un compuesto orgánico complejo caracterizado por su intrincada estructura molecular, que incluye múltiples grupos funcionales como dioxano, pirrol y anillos aromáticos. Este compuesto exhibe quiralidad, indicada por la configuración (4R,6R), lo que sugiere que puede tener una actividad biológica distinta dependiendo de su estereoequilibrio. La presencia de un grupo fluorofenilo puede aumentar su lipofilia e influir en su interacción con objetivos biológicos. Además, la parte de dioxano del compuesto contribuye a su posible solubilidad en disolventes orgánicos. Sus aplicaciones potenciales podrían abarcar productos farmacéuticos, particularmente en el diseño de fármacos, debido a la presencia de varios grupos funcionales que pueden interactuar con sistemas biológicos. Sin embargo, propiedades específicas como el punto de fusión, el punto de ebullición y la solubilidad requerirían datos empíricos para una caracterización precisa.

Fórmula: 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

Clave InChI: 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

Sinónimos:

• (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

• Fórmula: C₄₀H₄₇FN₂O₅
• Pureza: >98.0%(HPLC)(N)
• Forma y color: White to Almost white powder to crystal
• Peso molecular: 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

• Fórmula: C₄₀H₄₇FN₂O₅
• Forma y color: White Off-White Powder
• Peso molecular: 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

• Fórmula: C₄₀H₄₇FN₂O₅
• Pureza: 98%
• Forma y color: Solid
• Peso molecular: 654.8099832000003

Atorvastatin Acetonide tert-Butyl Ester

CAS: 125971-95-1

• Fórmula: C₄₀H₄₇FN₂O₅
• Forma y color: White To Off-White Solid
• Peso molecular: 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

• Fórmula: C₄₀H₄₇FN₂O₅
• Forma y color: Neat
• Peso molecular: 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.

• Fórmula: C₄₀H₄₇FN₂O₅
• Forma y color: White Solid Crystalline
• Peso molecular: 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

• Pureza: 98%
• Forma y color: Solid
• Peso molecular: 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 …

• Fórmula: C₄₀H₄₇FN₂O₅
• Forma y color: Neat
• Peso molecular: 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 …

• Fórmula: C₄₀H₄₇FN₂O₅
• Forma y color: White Solid
• Peso molecular: 654.81

Atorvastatin acetonide tert-butyl ester

CAS: 125971-95-1

Atorvastatin intermediate

• Fórmula: C₄₀H₄₇FN₂O₅
• Pureza: Min. 95%
• Peso molecular: 654.81 g/mol