瑞舒伐他汀（CAS 287714-41-4）：分子式 C22H28FN3O6S、分子量 481.5。
| CAS号 | 287714-41-4 |
|---|---|
| 分子式 | C22H28FN3O6S |
| 分子量 | 481.5 |
| LogP | 0.13 |
| 应用领域 | Uses: Hydroxymethylglutaryl-CoA Reductase Inhibitors、MEDICATION、Use (kg、approx.) in Germany (2009): >100、Consumption (g per capita、approx.) in Germany (2009): 0.00122、Calculated removal (%): 24.7、Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial)、mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore、it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease.、Methods of Manufacturing: The preparation of the intermediate ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-carboxylate occur according to standard chemical procedures. Reduction to the 5-hydroxymethyl derivative proceeds smoothly with diisobutylaluminum hydride (DIBALH) in toluene at -10 °C. The hydroxymethyl group is then converted to the bromo derivative、which upon reaction with triphenylphosphine affords the Wittig reagent. The latter is treated with tert-butyl 2-[(4R、6S)-6-formyl-2、2-dimethyl-1、3-dioxan-4-yl]acetate and provides the protected rosuvastatin ester. Removal of the dioxane protecting group by HCl、ester hydrolysis with NaOH and precipitation with CaCl2 gives、rosuvastatin、. The 6-formyl side chain intermediate is prepared by oxidation of the corresponding 6-hydroxymethyl compound、e.g.、with DMSO-oxalyl chloride.、Preparation: K. Hirai et al.、European Patent Office patent 521471、eidem、United States of America patent 5260440 (both 1993 to Shionogi).、Formulations、Preparations: Table: Rosuvastatin Preparations [Table#6909] |
登记用途：Uses: Hydroxymethylglutaryl-CoA Reductase Inhibitors、MEDICATION、Use (kg、approx.) in Germany (2009): >100、Consumption (g per capita、approx.) in Germany (2009): 0.00122、Calculated removal (%): 24.7、Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial)、mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore、it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease.、Methods of Manufacturing: The preparation of the intermediate ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-carboxylate occur according to standard chemical procedures. Reduction to the 5-hydroxymethyl derivative proceeds smoothly with diisobutylaluminum hydride (DIBALH) in toluene at -10 °C. The hydroxymethyl group is then converted to the bromo derivative、which upon reaction with triphenylphosphine affords the Wittig reagent. The latter is treated with tert-butyl 2-[(4R、6S)-6-formyl-2、2-dimethyl-1、3-dioxan-4-yl]acetate and provides the protected rosuvastatin ester. Removal of the dioxane protecting group by HCl、ester hydrolysis with NaOH and precipitation with CaCl2 gives、rosuvastatin、. The 6-formyl side chain intermediate is prepared by oxidation of the corresponding 6-hydroxymethyl compound、e.g.、with DMSO-oxalyl chloride.、Preparation: K. Hirai et al.、European Patent Office patent 521471、eidem、United States of America patent 5260440 (both 1993 to Shionogi).、Formulations、Preparations: Table: Rosuvastatin Preparations [Table#6909]。
瑞舒伐他汀 是一种化工化合物，登记 CAS 号为 287714-41-4，分子式 C22H28FN3O6S（分子量 481.5）。
登记 CAS 号：287714-41-4
其分子式 C22H28FN3O6S 由 22 个碳、28 个氢、1 个氟、3 个氮、6 个氧、1 个硫 组成。
别名/同义词：瑞舒伐他汀 · rosuvastatin
瑞舒伐他汀 的 CAS 登记号为 287714-41-4。
分子式 C22H28FN3O6S，分子量 481.5。
别名/同义词：瑞舒伐他汀、rosuvastatin。
登记用途：Uses: Hydroxymethylglutaryl-CoA Reductase Inhibitors、MEDICATION、Use (kg、approx.) in Germany (2009): >100、Consumption (g per capita、approx.) in Germany (2009): 0.00122、Calculated removal (%): 24.7、Used as an adjunct to dietary therapy to treat primary hyperlipidemia (heterozygous familial and nonfamilial)、mixed dyslipidemia and hypertriglyceridemia. Also indicated for homozygous familial hypercholesterolemia as an adjunct to other lipid-lowering therapies or when other such therapies are not available. Furthermore、it is used to slow the progression of atherosclerosis and for primary prevention of cardiovascular disease.、Methods of Manufacturing: The preparation of the intermediate ethyl 4-(4-fluorophenyl)-6-isopropyl-2-(N-methyl-N-methylsulfonylamino)pyrimidine-5-carboxylate occur according to standard chemical procedures. Reduction to the 5-hydroxymethyl derivative proceeds smoothly with diisobutylaluminum hydride (DIBALH) in toluene at -10 °C. The hydroxymethyl group is then converted to the bromo derivative、which upon reaction with triphenylphosphine affords the Wittig reagent. The latter is treated with tert-butyl 2-[(4R、6S)-6-formyl-2、2-dimethyl-1、3-dioxan-4-yl]acetate and provides the protected rosuvastatin ester. Removal of the dioxane protecting group by HCl、ester hydrolysis with NaOH and precipitation with CaCl2 gives、rosuvastatin、. The 6-formyl side chain intermediate is prepared by oxidation of the corresponding 6-hydroxymethyl compound、e.g.、with DMSO-oxalyl chloride.、Preparation: K. Hirai et al.、European Patent Office patent 521471、eidem、United States of America patent 5260440 (both 1993 to Shionogi).、Formulations、Preparations: Table: Rosuvastatin Preparations [Table#6909]。
瑞舒伐他汀（CAS 287714-41-4）的独立参考数据，整理自公开化学数据库。
| CAS Registry Number | 287714-41-4 |
|---|---|
| PubChem CID | 446157 |
| Molecular formula | C22H28FN3O6S |
| IUPAC name | (E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methyl(methylsulfonyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid |
| UNII (FDA) | 413KH5ZJ73 |
| Molecular Weight | 481.5 |
|---|---|
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 481.16828496 |
| Monoisotopic Mass | 481.16828496 |
| Topological Polar Surface Area | 149 |
| Heavy Atom Count | 33 |
| Solubility | 8.86e-02 g/L |
|---|---|
| LogP | 0.13 |
| LogP | 2.4 |
| Ionization Efficiency | 2.53 |
| Ionization Efficiency | 2.7 |
| Ionization Efficiency | MeCN (80%) |
Rosuvastatin; 287714-41-4; Creston; X-Plended; ZD4522; Rosuvastatina; ZD-4522; 413KH5ZJ73; DTXSID8048492; CHEBI:38545; rosuvastatinum; RefChem:6205; C10AA07; DTXCID90820057; rosuvastatine; Rosuvastatin [INN]
| Reported hazard statements | H351 (90%), H360 (90%), H411 (10%), H412 (90%) |
|---|
H351 (90%): Suspected of causing cancer [Warning Carcinogenicity]
H360 (90%): May damage fertility or the unborn child [Danger Reproductive toxicity]
rosuvastatin · CAS 287714-41-4 · C22H28FN3O6S. UNII 413KH5ZJ73. Solubility: 8.86e-02 g/L; LogP: 0.13; LogP: 2.4.
数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。
English page: rosuvastatin