CAS: 849811-78-5; (3R,5S,E)-Methyl 7-(2-Cyclopropyl-4-(4-Fluorophenyl)Quinolin-3-yl)-3,5-Dihydroxyhept-6-Enoate

• 英文名称(3R,5S,E)-Methyl 7-(2-Cyclopropyl-4-(4-Fluorophenyl)Quinolin-3-yl)-3,5-Dihydroxyhept-6-Enoate
• 中文名称匹伐他汀甲酯
• IUPAC名称methyl (3R,5S,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate
• 其它别名Pitavastatin Methyl Ester; (3R,5S,E)-Methyl 7-(2-Cyclopropyl-4-(4-Fluorophenyl)-Quinolin-3-yl)-3,5-Dihydroxyhept-6-Enoate; Methyl (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)-3-Quinolinyl]-3,5-Dihydroxy-6-Heptenoate; Dolm; (3R,5S,6E)-7-[2-Cyclopropyl-4-(4-Fluorophenyl)Quinolin-3-Yl]-3,5-Dihydroxyhept-6-Enoic Acid Methyl Ester; Sodium,(3R,5R)-7-[2-(4-Fluorophenyl)-3-Phenyl-4-(Phenylcarbamoyl)-5-Propan-2-Ylpyrrol-1-Yl]-3,5-Dihydroxyheptanoate; Pitavastatin Impurity 9(Pitavastatin Methyl Ester); (3R,5S,E)-Methyl 7-(2-Cyclopropyl
• CAS编号849811-78-5
• MFCD编号:MFCD23704937
• 分子式:C26H26FNO4分子量:435.49
• 产品CID: 1841710
• 同类组份化合物CAS147526-32-7 (calcium)147511-69-1 (free acid)141750-63-2 (lactone)849811-78-5 (methyl ester)
• 产品分类分析化学 → 标准品 → 药典标准品和杂质标准品

• 相似结构搜索
• InChIKey: VVRPOCPLIUDBSA-CNZCJKERSA-M
• InChI=1S/C26H26FNO4/c1-32-24(31)15-20(30)14-19(29)12-13-22-25(16-8-10-18(27)11-9-16)21-4-2-3-5-23(21)28-26(22)17-6-7-17/h2-5,8-13,17,19-20,29-30H,6-7,14-15H2,1H3/b13-12+/
• 计算化学: 氢键受体数6.0氢键供体数2.0可旋转键数9.0

物理性质

• 熔点No date available
• 沸点664.0±55.0 °C(预测)
• 闪点355.4±31.5 °C
• 密度1.292±0.06 g/cm3(预测)
• pKa:13.47±0.20(预测)
• PSA:79.65
• LogP:4.6065
• 外观形态固体-粉末
• 储存条件密封, 常温干燥保存
• 产品应用该化合物是一种用于降低胆固醇的强力HMG-COA再释放酶抑制剂.在生物化学实验中,它用一种约0.5-3 NM的IC50 抑制HMK-COA再排放酶,表明胆固碳生物合成中酶的限速性高亲和性.在肝细胞细胞和肝脏微生物系统中,PITAVASTATIN 减少了细胞胆固酚合成,提高了低纳米摩尔浓度(EC50 10-50 NM)的LDL受体表达力.在体外,在临床相关剂量(例如人类2-4毫克/天)和鼠标模型中,PIATAVASTASTATIN低LL-C-CHOOLESTEROL的受精度为~30-45%,口服剂量(~1-10毫克/千克)显著降低血浆LDDL和全胆固化醇水平,改进脂质特征,并降低血清分泌素发育与控制.

MSDS等安全信息

• 警示词Warning
• 危险描述H302-H315-H319-H335-
• 防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362-P403+P233-P501-
• 安全声明H303+H313+H333

上下游产品

合成工艺路线路线简述

• 合成目标产物 Pitavastatin Methyl Ester 主要起始原料 Methyl 3-Cyclopropyl-3-Oxopropionate
• 352-34-1 = 849811-78-5
  反应条件:1.1 Reagents: Sodium Carbonate Catalysts: Tris(Dibenzylideneacetone)Dipalladium Solvents: Dimethyl Sulfoxide; 9 H,90 °C
  标题:The Synthesis Of [18F]Pitavastatin As A Tracer For Hoatp Using The Suzuki Coupling
  作者:Yagi,Yusuke; Kimura,Hiroyuki; Arimitsu,Kenji; Ono,Masahiro; Maeda,Kazuya; Et Al
  参考文献:Organic & Biomolecular Chemistry 日期:2015 卷标:13(4) 页码:1113-1121]
  
  147526-32-7 = 849811-78-5
  反应条件:1.1 Reagents: Hydrochloric Acid Solvents: Ethyl Acetate,Water; 1 H,Rt1.2 Reagents: Trimethylsilyldiazomethane Solvents: Diethyl Ether; 30 Min,Rt
  标题:Novel Synthesis Of An [18F]Aryl Boronic Acid Ester As A Reagent For 18F-Labeling Via Suzuki Coupling
  作者:Yagi,Yusuke; Kimura,Hiroyuki; Kondo,Yuto; Higuchi,Takahiro
  参考文献:Tetrahedron Letters 日期:2022 卷标:104

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905122000-异丙醇
  2905399001-1,3-丙二醇
• 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
• 详情请参考：📖 海关编码查询和海关进出口税则

其他信息查阅

• ➥ 象形图和危险代码
• ➥ 防范代码详解
• ➥ 危险代码说明
• ➥ Globally Harmonized System
• ➥ REACH监管