Ethanaminium, N,​N,​N-​trimethyl-​2-​[(1-​oxobutyl)​thio]​-​, iodide (1:1) (2-巯乙基)三甲基碘化铵丁酸酯

CAS 1866-16-6 MFCD00011845

化学结构图

1866-16-6
SMILES: CCCC(=O)SCC[N+](C)(C)C.[I-]

化学属性

Mol. FormulaC9H20INOS
Mol. Weight317.23
Density1.422
Melting Point171-174°C
TSCAYes
Stability对光及湿度敏感
Boiling Point171-174°C

别名和识别编码

Chemical NameEthanaminium, N,​N,​N-​trimethyl-​2-​[(1-​oxobutyl)​thio]​-​, iodide (1:1)
CAS Number1866-16-6
Synonym S-n-Butyrylthiocholine (iodide) {LY} S-n-Butyrylthiocholine (iodide) {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} S-n-Butyrylthiocholine (iodide) {} {} {} {} {} {} {} {} {} {} {} {} {}
EC Number217-475-7
Beilstein Registry Number3729509
MDL NumberMFCD00011845
PubChem Substance ID87563770
Reaxys-RN3729509
Chemical Name Translation(2-巯乙基)三甲基碘化铵丁酸酯
InChIKeyWEQAAFZDJROSBF-UHFFFAOYSA-M
LabNetwork Molecule IDLN00224115
Canonical SMILESCCCC(SCC[N+](C)(C)C)=O.[I-]
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分类

  • Enzyme substrates
  • {SNA} Ammonium Salts, Chemical Synthesis, Phase Transfer Catalysts, Synthetic Reagents
  • Aliphatics
  • {SNA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thiol Esters

产品应用

  • 测定血浆胆碱酯酶变种的首选底物。

相关文献及参考

  • Whittaker, M. et al..: Clin. Chem., 29, 1746 (1983); Masson, P. et al.: Biochim. Biophys. Acta Prot. Struc. Mol. Enzymol., 1433, 281 (1999);
  • Beilstein: 4,IV,1586

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
Safety Statements
  • S26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice 眼睛接触后，立即用大量水冲洗并征求医生意见；
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
  • S36/37/39 Wear suitable protective clothing, gloves and eye/face protection 穿戴适当的防护服、手套和眼睛/面保护；
  • S37 Wear suitable gloves 戴适当手套；
Risk Statements
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Precautionary statements
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
  • P305+P351+P338
  • P362 Take off contaminated clothing and wash before reuse. 脱掉污染的衣服，清洗后方可重新使用
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H319 Causes serious eye irritation 严重刺激眼睛
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Storage condition -20°C, protect from light, stored under nitrogen {LY} -20°C, protect from light, stored under nitrogen 2-8°C Light Sensitive & Hygroscopic {} {LY} -20°C, protect from light, stored under nitrogen {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {} {} {} {LY} -20°C, protect from light, stored under nitrogen {} {} {} {} {} {} {} {} {}
Hazard Codes Xi
Packing Groupn/a

其他信息

  • 用途一:假性胆碱酯酶的测定，主要区别是以丁酰胆碱酯或丙酰胆碱酯做底物，最常用的方法是碘化丁酰硫代胆碱做底物的连续监测法。另外，也可以用硫酸奎尼丁做酶促反应终止剂，进行比色测定。
  • 溶于水。
  • MOL 文件:1866-16-6.mol
  • TCI Shanghai:碘化丁酰硫代胆碱 Butyrylthiocholine Iodide,>;99.0%(T)(1866-16-6)
  • 敏感性:Air & Moisture Sensitive & Hygroscopic
  • 存储注意事项:湿度敏感
  • F:1-8-10-13
  • 用途二:测定血浆胆碱酯酶变种的首选底物。
  • Acros Organics:S-碘化丁酰硫代胆碱 S-Butyrylthiocholine iodide, 98%(1866-16-6)
  • 上游原料:乙醇 --> 氢氧化钠 --> 盐酸 --> 乙酸乙酯 --> 乙醚 --> 二氯甲烷 --> 氧氯化硫 --> 碳酸氢钠 --> 碘甲烷 --> 硫脲 --> 正丁酰氯 --> N,N-二甲基乙醇胺 --> 丁酸酐 --> 2-甲胺乙硫醇盐酸盐 --> 硫代乙酸钾 --> 卡普他明
  • Sigma Aldrich:1866-16-6(sigmaaldrich)
  • 图谱信息:(丙基碳酰基硫乙基)三甲基碘化铵(1866-16-6)红外图谱(IR2) (丙基碳酰基硫乙基)三甲基碘化铵(1866-16-6)质谱(MS) (丙基碳酰基硫乙基)三甲基碘化铵(1866-16-6)红外图谱(IR1) (丙基碳酰基硫乙基)三甲基碘化铵(1866-16-6)核磁图( 1 HNMR) (丙基碳酰基硫乙基)三甲基碘化铵(1866-16-6)核磁图( 13 CNMR)
  • S-Butyrylthiocholine Iodide is a chromogenic substrate for AChE(cholinesterases) and BChE(cholinesterases). Cleavage is measured colorimetrically at 405 nm.
  • (丙基碳酰基硫乙基)三甲基碘化铵价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 K2082001 碘化丁酰硫代胆碱（-20℃） g 238元 2011/04/16 B0775 碘化丁酰硫代胆碱 Butyrylthiocholine Iodide 5G 580元 2011/04/16 B0775 碘化丁酰硫代胆碱 Butyrylthiocholine Iodide 25G 1840元
  • Alfa Aesar:S-正丁酰基硫代碘化胆碱,98% S-Butyrylthiocholine iodide, 98%(1866-16-6)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Phase Transfer Catalysts 相转移催化剂
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Phase Transfer Catalysts 相转移催化剂
  4. Ammonium Salts - Phase Transfer Catalysts
  1. Chemical Synthesis 化学合成
  2. Synthetic Reagents 合成试剂
  3. Phase Transfer Catalysts 相转移催化剂
  4. Ammonium Salts - Phase Transfer Catalysts
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiols/Mercaptans - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiol Esters - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiol Esters - Sulfur Compounds
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Organic Building Blocks 有机砌块
  4. Sulfur Compounds 硫化合物
  5. Thiocyanates/Isothiocyanates
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Chemicals by Class 化学分类法
  4. Quaternary Ammonium Compounds 季铵化合物
  1. Functional Group 官能团索引
  2. quaternary ammonium salt
  1. Functional Group 官能团索引
  2. thiocarboxylic acid ester

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