2-(2-Aminoethyl)Isothiourea Dihydrobromide S-(2-氨乙基)异硫脲溴化物氢溴酸盐

CAS 56-10-0 MFCD00037011

化学结构图

56-10-0
SMILES:

化学属性

Mol. FormulaC3H11Br2N3S
Mol. Weight281.01
Melting Point190-196 °C
TSCAYes
Appearance 白色结晶。熔点194-195℃。易溶于水,能溶于乙醇。易潮解并分合环合成异构体。

别名和识别编码

Chemical Name2-(2-Aminoethyl)Isothiourea Dihydrobromide
Synonym AE-ITU (dihydrobromide) {LY} AE-ITU (dihydrobromide) {} {LY} AE-ITU (dihydrobromide) {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} AE-ITU (dihydrobromide) {} {} {} {} {} {} {} {} {} {} {} {
MDL NumberMFCD00037011
CAS Number56-10-0
PubChem Substance ID87562568
Beilstein Registry Number3911163
EC Number200-257-0
Merck Number178
Chemical Name TranslationS-(2-氨乙基)异硫脲溴化物氢溴酸盐
Reaxys-RN3911163
Wiswesser Line NotationZ2SYZUM &EH 2
LabNetwork Molecule IDLN00191626
Canonical SMILESNC(SCCN)=N.[H]Br.[H]Br
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分类

  • {SNA} A-AM,
  • {SA} Building Blocks, Chemical Synthesis, Organic Building Blocks, Sulfur Compounds, Thioureas
  • {SNA} A-AM, Application Index, Bioactive Small Molecule Alphabetical Index, Biochemicals and Reagents, Cell Signaling Enzymes, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, L to O,

相关文献及参考

  • Radioprotective agent.

安全信息

WGK Germany3
GHS Symbol
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
  • P301+P312+P330
  • P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西,喝水或吸烟。
  • P261 Avoid breathing dust/fume/gas/mist/vapours/spray. 避免吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
  • P305+P351+P338
Hazard statements
  • H315 Causes skin irritation 会刺激皮肤
  • H335 May cause respiratory irritation 可能导致呼吸道刺激
  • H302 Harmful if swallowed 吞食有害
  • H319 Causes serious eye irritation 严重刺激眼睛
RTECSUM0175000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Signal word Warning
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;
  • S22 Do not breathe dust 不要吸入粉尘;
  • S36/37 Wear suitable protective clothing and gloves 穿戴适当的防护服和手套;
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
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
  • R22 Harmful if swallowed 吞咽有害
Hazard Codes Xn
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 815 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - convulsions or effect on seizure threshold
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   JPETAB Journal of Pharmacology and Experimental Therapeutics.  (Williams &
   Wilkins Co., 428 E. Preston St., Baltimore, MD 21202)  V.1-    1909/10-
   Volume(issue)/page/year: 129,218,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 400 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NTIS** National Technical Information Service.  (Springfield, VA 22161)
   Formerly U.S. Clearinghouse for Scientific & Technical Information.
   Volume(issue)/page/year: AD277-689

{

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rabbit
DOSE/DURATION           : 236 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans
   Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium)  V.4-   
   1898-  Volu

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous

TYPE OF TEST            : Micronucleus test
ROUTE OF EXPOSURE       : Intraperitoneal
TEST SYSTEM             : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 334,317,1995

Storage condition 2-8°C, sealed storage, away from moisture {LY} 2-8°C, sealed storage, away from moisture {} {LY} 2-8°C, sealed storage, away from moisture {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed storage, away from moisture {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C, sealed

其他信息

  • 乙胺硫脲价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2011/08/23 30194780 S-(2-氨乙基)溴化异硫脲鎓氢溴酸盐 25g 321.2元 2011/04/16 A1078 S-(2-氨乙基)异硫脲溴氢溴酸盐 S-(2-Aminoethyl)isothiouronium Bromide Hydrobromide 500G 4440元 2011/04/16 A1078 S-(2-氨乙基)异硫脲溴氢溴酸盐 S-(2-Aminoethyl)isothiouronium Bromide Hydrobromide 25G 526元
  • MOL 文件:56-10-0.mol
  • Sigma Aldrich:56-10-0(sigmaaldrich)
  • 图谱信息:乙胺硫脲(56-10-0)质谱(MS) 乙胺硫脲(56-10-0)红外图谱(IR1) 乙胺硫脲(56-10-0)红外图谱(IR2)
  • Alfa Aesar:S-(2-氨乙基)异硫脲二氢溴酸盐,98% S-(2-Aminoethyl)isothiourea dihydrobromide, 98%(56-10-0)
  • 可燃性危险特性:可燃;燃烧产生有毒氮氧化物,溴化氢和硫氧化物烟雾
  • 毒性分级:中毒
  • TCI Shanghai:S-(2-氨乙基)异硫脲溴氢溴酸盐 S-(2-Aminoethyl)isothiouronium Bromide Hydrobromide,>;98.0%(T)(56-10-0)
  • 上游原料:氢溴酸 --> 乙醇胺 --> 氮丙啶 --> 2-溴乙胺氢溴酸盐
  • 急性毒性:腹腔-大鼠LD50:288毫克/公斤; 腹腔-小鼠LD50:400 毫克/公斤
  • 方法一:(1)由氨基乙醇溴化得到溴乙胺氢溴酸盐后,与硫脲缩合而得:溴化:在反应罐中投入氢溴酸,冷却后,搅拌下滴加氨基乙醇,于30min内滴加完毕,然后蒸出投入量85%的氢溴酸,约20h蒸完。浓缩液冷却至70-80℃后将其放入预先冷冻的丙酮中,再冷却至5℃以下结晶,过滤,用冷丙酮洗涤,干燥,得溴乙胺氢溴酸盐。熔点165℃。缩合:将异丙醇和硫脲混合搅拌,加热至70℃,迅速加入溴乙胺氢溴酸盐,内温升至82℃,反应40min。冷至10℃以下过滤,用冷异丙醇洗涤,再用少量乙酸乙酯洗涤,干燥,得克脑迷粗品。在粗品中加入4.75倍甲醇(V/V),0.02倍活性炭,搅拌加热回流15-20min。趁热过滤,冷却,半小时后加入粗品量的4.28倍乙醚(V/V)。继续冷却,待结晶完全后过滤,干燥,得成品。总收率56-58%(对氨基乙醇计)。(2)以环乙胺、氢溴酸、硫脲为原料合成:先将硫脲与溴氢酸混合,在150℃以下滴加环乙胺,待反应完成后,加入活性炭过滤,然后减压脱水,温度在50℃以下即析出结晶,过滤,以无水乙醇洗两次,即得成品。
  • 灭火剂:干粉、泡沫、砂土、二氧化碳, 雾状水
  • F:10-21
  • 储运特性:库房通风低温干燥
  • 用途一:用于有机合成,酶激活剂,辐射病预防,游离基的解毒剂。该品作为药物能促进脑细胞代谢,增加对碳水化合物的利用,提高中枢兴奋性。能使外伤性昏迷病人迅速地恢复脑的功能,并有对抗中枢抑制药物的作用。适用于外伤性昏迷、心血管疾患所致的昏迷、一氧化碳中毒、巴比妥类及安定药物的中毒、放射性损伤及脑缺氧等。
  • 类别:有毒物品

系列性分类


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