CAS: 81129-83-1; Sodium (Z)-7-(((R)-2-Amino-2-Carboxyethyl)Thio)-2-((S)-2,2-Dimethylcyclopropane-1-Carboxamido)Hept-2-Enoate

• 英文名称Sodium (Z)-7-(((R)-2-Amino-2-Carboxyethyl)Thio)-2-((S)-2,2-Dimethylcyclopropane-1-Carboxamido)Hept-2-Enoate
• 中文名称西司他丁钠
• IUPAC名称sodium (Z)-7-(((R)-2-amino-2-carboxyethyl)thio)-2-((S)-2,2-dimethylcyclopropane-1-carboxamido)hept-2-enoate
• 其它别名(Z)-7-[(2S)-2-Amino-2-Carboxyethyl]Sulfanyl-2-[[(1S)-2,2-Dimethylcyclopropanecarbonyl]Amino]Hept
• CAS编号81129-83-1
• MFCD编号:MFCD08459332
• EINECS号:279-694-4
• FDA UNII编号:5428WXZ74M
• 分子式:C16H25N2NaO5S
• 分子量:380.44
• 产品CID: 1805462
• 同类组份化合物CAS81129-83-1 (sodium)82009-34-5 (free acid)
• 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: QXPBTTUOVWMPJN-QBNHLFMHSA-M
• QXPBTTUOVWMPJN-LZTDVXLXNA-M…
• 计算化学: 氢键受体数7.0氢键供体数4.0可旋转键数11.0

物理性质

• 熔点>160°C (分解)
• 沸点655.5 °C at 760 mmHg
• 闪点350.2 °C
• pKa:pKa1 2.0; pKa2 4.4; pKa3 9.2(at 25°C)
• PSA:157.85
• LogP:1.1891
• 蒸汽压7.13E-19 mmHg at 25 °C
• 溶解性Very Soluble In Water And In Methanol, Slightly Soluble In Anhydrous Ethanol, Very Slightly Soluble In Dimethyl Sulfoxide, Practically Insoluble In Acetone And In Methylene Chloride.
• 外观形态白色固体
• 储存条件2-8°C
• 产品应用该化合物是混合有氧和厌氧感染,包括腹膜炎,腹膜内腹炎,寄生炎,妇科感染,下呼吸道感染,皮肤和软组织感染,尿道感染,骨骼和联合感染,败血症和肝脏感染造成的各种感染;它作为肾上脱水I抑制剂,保护肾膜不退化,从而加强其尿道恢复,减少肾毒性;此外,硅酸钠还具有保护作用,可以防止芳香素诱发的先质囊病,同时不损害芳香的抗微生物效.

MSDS等安全信息

• GHS象形图
• GHS符号GHS07;
  注释: Exclamation mark
• 危险类别严重眼刺激 类别2
  特定目标器官毒性 - 单次接触 类别3
  皮肤腐蚀/刺激 类别2
• 警示词Warning(警告)
• 危险描述H319 |造成严重眼刺激.
  H335 |可能引起呼吸道刺激.
  H315 |造成皮肤刺激.
• 防范说明P264-P280-P305+P351+P338-P337+P313P
• 危险品标志Xi
• 安全声明H303+H313+H333
• WGK Germany3

欧盟法规

合成工艺路线路线简述

• 107872-93-5 + 75885-58-4 = 81129-83-1
  反应条件:1.1 Solvents: Toluene; Rt -> 125 °C; 10 H,125 °C2.1 Reagents: Sodium Hydroxide Solvents: Water; 3 H,-3 °C2.2 Reagents: Hydrogen Bromide Solvents: Water; Ph 6.8
  标题:Synthesis Of Cilastatin Sodium
  作者:Lang,Fang; Et Al
  参考文献:Zhongguo Kangshengsu Zazhi 日期:2008 卷标:33(5)]
  
  = 81129-83-1
  反应条件:1.1 Reagents: Ammonia Solvents: Ethanol; Cooled; Rt2.1 -3.1 Reagents: Sodium Iodide Solvents: Acetone; 12 H,Reflux3.2 Reagents: Tripotassium Phosphate Solvents: Tetrahydrofuran; 11 H,80 °C4.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 3 H,Rt4.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Synthesis Of Cilastatin Sodium
  作者:Ouyang,Luo; Et Al
  参考文献:Zhejiang Shifan Daxue Xuebao 日期:2011 卷标:34(3) 页码:317-322]
  
  18531-94-7 + 50675-57-5 = 81129-83-1
  反应条件:1.1 Reagents: Triethylamine Solvents: Dichloromethane; -20 °C; Rt2.1 Reagents: Ammonia Solvents: Ethanol; Cooled; Rt3.1 -4.1 Reagents: Sodium Iodide Solvents: Acetone; 12 H,Reflux4.2 Reagents: Tripotassium Phosphate Solvents: Tetrahydrofuran; 11 H,80 °C5.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 3 H,Rt5.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Synthesis Of Cilastatin Sodium
  作者:Ouyang,Luo; Et Al
  参考文献:Zhejiang Shifan Daxue Xuebao 日期:2011 卷标:34(3) 页码:317-322]
  
  78834-80-7 + 52-90-4 = 81129-83-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Water; 3 H,-3 °C1.2 Reagents: Hydrogen Bromide Solvents: Water; Ph 6.8
  标题:Synthesis Of Cilastatin Sodium
  作者:Lang,Fang; Et Al
  参考文献:Zhongguo Kangshengsu Zazhi 日期:2008 卷标:33(5)]
  
  = 81129-83-1
  反应条件:1.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 3 H,Rt1.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Synthesis Of Cilastatin Sodium
  作者:Ouyang,Luo; Et Al
  参考文献:Zhejiang Shifan Daxue Xuebao 日期:2011 卷标:34(3) 页码:317-322]
  
  18598-63-5 + 877758-94-6 = 81129-83-1
  反应条件:1.1 Reagents: Sodium Iodide Solvents: Acetone; 12 H,Reflux1.2 Reagents: Tripotassium Phosphate Solvents: Tetrahydrofuran; 11 H,80 °C2.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 3 H,Rt2.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Synthesis Of Cilastatin Sodium
  作者:Ouyang,Luo; Et Al
  参考文献:Zhejiang Shifan Daxue Xuebao 日期:2011 卷标:34(3) 页码:317-322]
  
  75885-58-4 = 81129-83-1
  反应条件:1.1 -2.1 Reagents: Sodium Iodide Solvents: Acetone; 12 H,Reflux2.2 Reagents: Tripotassium Phosphate Solvents: Tetrahydrofuran; 11 H,80 °C3.1 Reagents: Sodium Hydroxide Solvents: Methanol,Water; 3 H,Rt3.2 Reagents: Hydrochloric Acid Solvents: Water; Neutralized
  标题:Synthesis Of Cilastatin Sodium
  作者:Ouyang,Luo; Et Al
  参考文献:Zhejiang Shifan Daxue Xuebao 日期:2011 卷标:34(3) 页码:317-322

海关参考信息

• 2901210000-乙烯
  2901220000-丙烯
  2905121000-正丙醇
  2912110000-甲醛
• 💡 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

专利信息

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