CAS: 79952-44-6; Epi Lovastatin

该化合物是一种以其作为HMG-CoA 稀释酶抑制剂的作用而闻名的血清衍生物,主要用于胆固醇生物合成条例,该化合物与Lovastatin有结构上的相似之处,但具有不同的药用动力特性,包括生物利用率和代谢途径方面的潜在差异,其机制涉及对HMG-CoA 稀释酶的竞争性抑制,导致LDL胆固醇合成的减少.Epi Lovastatin对药物研究感兴趣,因为它的立体化学变异,可能会影响能量,选择性或代谢稳定性,而与常规的Statin相比,该化合物通常会因其在超脂性贫血管理方面的治疗潜力或作为高级Statin类合成途径的前体而进行研究.

英文名称Epi Lovastatin
中文名称表洛伐他汀
CAS编号79952-44-6
MFCD编号:MFCD21363830
FDA UNII编号:S9XFL13C1F
分子式:C24H36O5分子量:404.54
产品CID: 1793322
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: PCZOHLXUXFIOCF-YPQFMRJXSA-N
1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15+,16-,18+,19+,20
计算化学: 氢键受体数5.0氢键供体数1.0可旋转键数7.0

物理性质

熔点108-110˚C
沸点559.2±50.0 °C at 760 mmHg
闪点185.3±23.6 °C
密度1.1±0.1 g/cm3
PSA:72.83
LogP:4.07
折射率1.532
蒸汽压0.0±3.4 mmHg at 25°C
溶解性Acetonitrile (Slightly), Chloroform (Slightly), Methanol (Slightly)
外观形态白色至类白色固体
储存条件-20°C 冷藏

MSDS等安全信息

安全声明24/25

上下游产品

*),3α,7β,8β(2S*,4S*,6RS*),8aβ>>-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8--1-naphthalenyl 2-methylbutanoate*),3α,7β,8β(2S*,4S*,6RS*),8aβ-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-2-(tetrahydro-4,6-dihydroxy-2H-pyran-2-yl)ethyl-1-naphthalenyl 2-methylbutanoate oxy>-1(S)-naphtyl>ethyl>-3,4,5,6-tetrahydro-4(R)--2H-pyran-2-one6(R)-2-1,2,6,7,8,8a(R)-Hexahydro-2(S),6(R)-dimethyl-8(S)-2(S)-methylbutyryloxy-1(S)-naphtylethyl-3,4,5,6-tetrahydro-4(R)-(tert-butyldimethylsilyl)oxy-2H-pyran-2-one (S)-2-Methyl-butyric acid (1S,3S,7R,8R,8aR)-8-{2-[(2R,4R)-4-(tert-butyl-dimethyl-silanyloxy)-6-oxo-tetrahydro-pyran-2-yl]-ethyl}-3,7-dimethyl-6-oxo-1,2,3,4,6,7,8,8a-°Ctahydro-naphthalen-1-yl ester (S)-2-Methyl-butyric acid (1S,4S,6S,7R,8S,8aR)-4-chloro-6-formyloxy-8-[2-((2R,4R)-4-hydroxy-6-oxo-tetrahydro-pyran-2-yl)-ethyl]-7-methyl-1,2,3,4,6,7,8,8a-°Ctahydro-naphthalen-1-yl esteroxy>-1(S)-naphtyl>ethyl>-3,4,5,6-tetrahydro-4(R)--2H-pyran-2-one6(R)-2-1,2,6,7,8,8a(R)-Hexahydro-2(S),6(R)-dimethyl-8(S)-2(S)-methylbutyryloxy-1(S)-naphtylethyl-3,4,5,6-tetrahydro-4(R)-(tert-butyldimethylsilyl)oxy-2H-pyran-2-one lovastatin acid (4R,6R)-4-hydroxy-6-(2-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)ethyl)tetrahydro-2H-pyran-2-one (4R,6R)-6-[2-((1S,2S,6R,8S,8aR)-8-hydroxy-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthyl)ethyl]-4-[(tert-butyldimethylsilyl)oxy]-3,4,5,6-tetrahydro-2H-pyran-2-one

合成工艺路线路线简述

82978-03-8 = 79952-44-6
反应条件:1.1 Reagents: Acetic Acid,Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran
标题:3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase Inhibitors. 4. Side-Chain Ester Derivatives Of Mevinolin
作者:Hoffman,W. F.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1986 卷标:29(5) 页码:849-52]

79902-31-1 + 101400-29-7 = 79952-44-6
反应条件:1.1 Reagents: Pyridine,4-(Dimethylamino)Pyridine Solvents: Pyridine2.1 Reagents: Acetic Acid,Tetrabutylammonium Fluoride Solvents: Tetrahydrofuran
标题:3-Hydroxy-3-Methylglutaryl-Coenzyme A Reductase Inhibitors. 4. Side-Chain Ester Derivatives Of Mevinolin
作者:Hoffman,W. F.; Et Al
参考文献:Journal Of Medicinal Chemistry 日期:1986 卷标:29(5) 页码:849-52

海关参考信息

2901210000-乙烯
2901220000-丙烯
2901241000-1,3-丁二烯
2905122000-异丙醇
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合成参考文献

参考文献:10.7164/antibiotics.33.334
摘要:Endo A. Monacolin K, a new hypocholesterolemic agent that specifically inhibits 3-hydroxy-3-methylglutaryl coenzyme A reductase. J Antibiot (Tokyo). 1980 Mar;33(3):334–6. doi: 10.7164/antibiotics.33.334.