3-(1H-Imidazol-4-yl)acrylic acid 3-(1H-咪唑-4-基)丙烯酸

CAS 104-98-3 MFCD00005203

化学结构图

104-98-3
SMILES: O=C(O)C=Cc1cnc[nH]1

化学属性

Mol. FormulaC6H6N2O2
Mol. Weight138.12
Melting Point226-228°C
Solubility略溶于水
Boiling Point456.9°C at 760 mmHg

别名和识别编码

Chemical Name3-(1H-Imidazol-4-yl)acrylic acid
Synonym Urocanic acid {LY} Urocanic acid {} {LY} Urocanic acid {} {} {LY} Urocanic acid {} {} {} {LY} Urocanic acid {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Urocanic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD01593677
PubChem Substance ID736715
Beilstein Registry Number81405
CAS Number104-98-3
EC Number203-258-4
Chemical Name Translation3-(1H-咪唑-4-基)丙烯酸
Reaxys-RN81403
InChIKeyLOIYMIARKYCTBW-UHFFFAOYSA-N
Wiswesser Line NotationT5M CNJ D1U1VQ
LabNetwork Molecule IDLN02219919
InChIInChI=1S/C6H6N2O2/c9-6(10)2-1-5-3-7-4-8-5/h1-4H,(H,7,8)(H,9,10)/b2-1+
Canonical SMILESO=C(O)/C=C/C1=CN=CN1
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分类

  • {SNA} Building Blocks, C3 to C8, Chemical Synthesis, D to K,
  • Biochemicals and Reagents, Building Blocks, Chemical Synthesis, D to K, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Heterocyclic Building Blocks, Histidine ammonia-lyase and decarboxylase, Imidazoles
  • {SNA} Biochemicals and Reagents, Building Blocks, C3 to C8, Chemical Synthesis, D to K, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Heterocyclic Building Blocks, Histidine ammonia-lyase and decarboxylase, Imidazoles
  • {SNA} Building Blocks,

相关文献及参考

  • Aldrich MSDS 1 , 1826:D / Corp MSDS 1 (2), 3582:A / FT-IR 2 (3), 3518:A / FT-IR 1 (2), 621:A / IR-Spectra (3), 1221:G / IR-Spectra (2), 1063:F / NMR-Reference 2 (2), 492:A / RegBook 1 (2), 2361:G / Sigma FT-IR 1 (2), 970:A / Structure Index 1 , 374:B:2
  • Beil. 25 ,IV,786
  • [1]. Gibbs NK, et al. Recent advances in urocanic acid photochemistry, photobiology and photoimmunology. Photochem Photobiol Sci. 2008 Jun;7(6):655-67.

安全信息

WGK Germany3
RTECSNI3425200
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
Safety Statements
  • S22 Do not breathe dust 不要吸入粉尘；
  • S24/25 Avoid contact with skin and eyes 避免皮肤和眼睛接触；
Storage condition 2-8°C {LY} 2-8°C {} {LY} 2-8°C {} {} {LY} 2-8°C {} {} {} {LY} 2-8°C {} {} {} {} {LY} 2-8°C {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} 2-8°C {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} { {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 100 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 5,81,1981

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   JIDEAE Journal of Investigative Dermatology.  (Williams & Wilkins Co., 428
   E. Preston St., Baltimore, MD 21202)  V.1-    1938- Volume(issue)/page/year:
   65,400,1975

其他信息

  • 海关编码:29332990
  • Sigma Aldrich:104-98-3(sigmaaldrich)
  • MSDS 信息:3-(4-Imidazolyl)acrylic acid(104-98-3).msds
  • 尿刊酸价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 I0002 尿刊酸 Urocanic Acid 5G 467元 2010/06/21 228960050 尿刊酸 Urocanic acid 99% 5 GR 365元 2010/06/21 228961000 尿刊酸 Urocanic acid 99% 100 GR 4670元
  • MOL 文件:104-98-3.mol
  • 上游原料:盐酸 --> 碳酸钠 --> 氢氧化铵 --> 苯 --> 吡啶 --> 甲醛 --> 异丙醇 --> 二氧化锰 --> 六氢吡啶 --> 丙二酸 --> 硫酸铜 --> 氢硫酸 --> 苦味酸 --> D-(-)-果糖
  • Acros Organics:尿刊酸 Urocanic acid, 99%(104-98-3)
  • TCI Shanghai:尿刊酸 Urocanic Acid,>;98.0%(LC)(T)(104-98-3)

系列性分类

  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Homopiperidines 同哌啶
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Enzymes, Inhibitors, and Substrates - Biochemicals and Reagents
  4. Enzyme Inhibitors - Enzymes, Inhibitors, and Substrates
  5. Enzyme Inhibitors by Enzyme - Enzyme Inhibitors
  6. D to K - Enzyme Inhibitors by Enzyme
  7. Histidine ammonia-lyase and decarboxylase - D to K
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Imidazoles 咪唑
  5. C3 to C8 - Imidazoles
  1. Chemical Synthesis 化学合成
  2. Building Blocks 合成砌块
  3. Heterocyclic Building Blocks 杂环合成砌块
  4. Heterocyclic Acids 杂环酸
  5. Imidazole Acids
  1. Life Science 生命科学
  2. Biochemicals and Reagents
  3. Enzymes, Inhibitors, and Substrates
  4. Enzyme Inhibitors
  5. Enzyme Inhibitors by Enzyme
  6. Guanylyl cyclase
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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