左西孟旦结构式
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常用名 | 左西孟旦 | 英文名 | Levosimendan |
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CAS号 | 141505-33-1 | 分子量 | 280.285 | |
密度 | 1.3±0.1 g/cm3 | 沸点 | N/A | |
分子式 | C14H12N6O | 熔点 | 216-219ºC (dec.) | |
MSDS | 中文版 美版 | 闪点 | N/A | |
符号 |
GHS07 |
信号词 | Warning |
左西孟旦用途【用途1】 医药原料药 【用途2】
为肌钙蛋白钙激动剂,适用于急性心力衰竭的治疗。 更多
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中文名 | 左旋西孟旦 |
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英文名 | levosimendan |
中文别名 | 硫酸胍乙啶 | 左西孟旦 |
英文别名 | 更多 |
描述 | Levosimendan(OR1259)是钙增敏剂,通过与cardiac troponin C (cTnC)结合而发挥作用。 |
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相关类别 | |
参考文献 |
密度 | 1.3±0.1 g/cm3 |
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熔点 | 216-219ºC (dec.) |
分子式 | C14H12N6O |
分子量 | 280.285 |
精确质量 | 280.107269 |
PSA | 113.43000 |
LogP | 0.59 |
外观性状 | 黄色结晶粉末 |
折射率 | 1.673 |
储存条件 | 室温,干燥 |
分子结构 | 1、 摩尔折射率:78.68 2、 摩尔体积(cm3/mol):209.8 3、 等张比容(90.2K):576.8 4、 表面张力(dyne/cm):57.1 5、 极化率(10-24cm3):31.19 |
计算化学 | 1.疏水参数计算参考值(XlogP):2.3 2.氢键供体数量:2 3.氢键受体数量:6 4.可旋转化学键数量:3 5.互变异构体数量:9 6.拓扑分子极性表面积113 7.重原子数量:21 8.表面电荷:0 9.复杂度:549 10.同位素原子数量:0 11.确定原子立构中心数量:1 12.不确定原子立构中心数量:0 13.确定化学键立构中心数量:0 14.不确定化学键立构中心数量:0 15.共价键单元数量:1 |
更多 | 1.熔点(℃):210~214 2.性状:黄色结晶粉末。 3.溶解性:可溶于水。 |
~% 左西孟旦 141505-33-1 |
文献:WO2011/7123 A1, ; Page/Page column 11-12 ; |
~% 左西孟旦 141505-33-1 |
文献:WO2011/7123 A1, ; |
~% 左西孟旦 141505-33-1 |
文献:WO2011/7123 A1, ; |
~% 左西孟旦 141505-33-1 |
文献:WO2011/7123 A1, ; |
在加热下,将(±)-6-(4-氨基苯基)-5-甲基哒嗪-3(2H)-酮(203g,1mol)溶于40ml异丙醇.然后缓慢加入L-酒石酸(300g,2rnol),在加热下搅拌至溶液澄清.在搅拌下缓慢冷却至室温,并在20℃搅拌过夜.过滤收集固体,并将其溶于水中,在搅拌下加入碳酸钾溶液(190g K2CO3溶于0.75ml水).过滤收集固体,水洗,干燥.在加热下将得到的104.6g固体溶于二氧六环,任其冷却至室温.过滤除去74.6g的消旋体,滤液减压浓缩至干,得23.8g结晶性固体的(-)-6-(4-氨基苯基)-5-甲基哒嗪-3(2H)-酮,纯度99.5%,熔点207~210℃,收率59.2%.
将(-)-6-(4-氨基苯基)-5-甲基哒嗪-3(2H)-酮和浓盐酸溶于水中,在搅拌和0~5℃下加入亚硝酸钠,10min后再加入丙二腈的水溶液,在室温搅拌1.5h.用乙酸钠将pH值调至6.0,过滤收集固体,用水和乙醇洗,得左西孟旦,熔点210~214℃,收率97%.
Levosimendan exerts anti-inflammatory effects on cardiac myocytes and endothelial cells in vitro.
Thromb. Haemost. 113(2) , 350-62, (2015) Levosimendan is a positive inotropic drug for the treatment of acute decompensated heart failure (HF). Clinical trials showed that levosimendan was particularly effective in HF due to myocardial infar... |
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Effect of levosimendan on the contractility of muscle fibers from nemaline myopathy patients with mutations in the nebulin gene.
Skelet. Muscle 5 , 12, (2015) Nemaline myopathy (NM), the most common non-dystrophic congenital myopathy, is characterized by generalized skeletal muscle weakness, often from birth. To date, no therapy exists that enhances the con... |
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A Bayesian network meta-analysis on the effect of inodilatory agents on mortality.
Br. J. Anaesth. 114 , 746-56, (2015) Inodilators are commonly used in critically ill patients, but their effect on survival has not been properly studied to date. The objective of this work was to conduct a network meta-analysis on the e... |
Levosimedan |
Mesoxalonitrile (-)-[p-[(R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazone |
({4-[(4R)-4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazono)malononitrile |
({4-[(4R)-4-Methyl-6-oxo-1,4,5,6-tetrahydro-3-pyridazinyl]phenyl}hydrazono)malononitrile |
(R)-[[4-(1,4,5,6-Tetrahydro-4-methyl-6-oxo-3-pyridazinyl)phenyl]hydrazono]propanedinitrile |
Propanedinitrile, 2-[2-[4-[(4R)-1,4,5,6-tetrahydro-4-methyl-6-oxo-3-pyridazinyl]phenyl]hydrazinylidene]- |
Levosimendan |
(R)-(-)-2-[4-(4-methyl-6-oxo-1,4,5,6,-tetrahydropyridazin-3-yl)phenylhydrazono]propanedinitrile |
MFCD00867135 |
Simdax |
(2-{4-[(4R)-4-Methyl-6-oxo-1,4,5,6-tetrahydropyridazin-3-yl]phenyl}hydrazinyliden)propandinitril |
2-[[4-[(4R)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]hydrazinylidene]propanedinitrile |
(R)-Simendan |