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

Descrição: 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, com número CAS 125971-95-1, é um composto orgânico complexo caracterizado por sua intrincada estrutura molecular, que inclui múltiplos grupos funcionais como dioxano, pirrol e anéis aromáticos. Este composto exibe quiralidade, indicada pela configuração (4R,6R), sugerindo que pode ter atividade biológica distinta dependendo de sua estereoquímica. A presença de um grupo fluorofenila pode aumentar sua lipofilicidade e influenciar sua interação com alvos biológicos. Além disso, a parte de dioxano do composto contribui para sua potencial solubilidade em solventes orgânicos. Suas aplicações potenciais podem abranger produtos farmacêuticos, particularmente no design de medicamentos, devido à presença de vários grupos funcionais que podem interagir com sistemas biológicos. No entanto, propriedades específicas como ponto de fusão, ponto de ebulição e solubilidade exigiriam dados empíricos para uma caracterização 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

Chave 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)
• Cor e Forma: 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
• Cor e Forma: 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%
• Cor e Forma: Solid
• Peso molecular: 654.8099832000003

Atorvastatin Acetonide tert-Butyl Ester

CAS: 125971-95-1

• Fórmula: C₄₀H₄₇FN₂O₅
• Cor e Forma: 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
• Cor e Forma: 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
• Cor e Forma: 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%
• Cor e Forma: 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
• Cor e Forma: 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
• Cor e Forma: 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