Furoylglycine N-(2-糠酰)甘氨酸

CAS 5657-19-2 MFCD00030606

化学结构图

5657-19-2
SMILES: O=C(O)CNC(=O)c1ccco1

化学属性

Mol. FormulaC7H7NO4
Mol. Weight169
Melting Point163-165 °C(lit.)

别名和识别编码

Chemical Name2-Furoylglycine
Alfabeta NameFUROYLAMINOACETICACID 22()--
MDL NumberMFCD00030606
CAS Number5657-19-2
PubChem Substance ID21863
Synonym Furoilglicina N-(2-Furoyl)glycine Furfuroylglycine Pyromucuric acid Furoylglycine 2-Furoylglycine N-(2-糠酰)甘氨酸 Glycine, N-(2-furanylcarbonyl)- N-(2-Furanylcarbonyl)glycine
Chemical Name TranslationN-(2-糠酰)甘氨酸
Wiswesser Line NotationT5OJ BVM1VQ
Beilstein Registry Number0142378
InChIKeyKSPQDMRTZZYQLM-UHFFFAOYSA-N
LabNetwork Molecule IDLN00151500
InChIInChI=1S/C7H7NO4/c9-6(10)4-8-7(11)5-2-1-3-12-5/h1-3H,4H2,(H,8,11)(H,9,10)
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分类

  • {SNA} Chemical Biology, Chemical Synthesis, Glycine Derivatives, Peptide Chemistry, Unnatural Amino Acids & Derivatives
  • {SNA} Chemical Biology, Chemical Synthesis, Glycine Derivatives, Peptide Chemistry, Unnatural Amino Acid Derivatives

相关文献及参考

  • [2]. Stephen S Antonysamy, et al. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5.
  • [1]. Silke S Heinzmann, et al. 2-Furoylglycine as a Candidate Biomarker of Coffee Consumption. J Agric Food Chem. 2015 Sep 30;63(38):8615-21.
  • [1]. Silke S Heinzmann, et al. 2-Furoylglycine as a Candidate Biomarker of Coffee Consumption. J Agric Food Chem. 2015 Sep 30;63(38):8615-21.
  • [2]. Stephen S Antonysamy, et al. Fragment-based discovery of hepatitis C virus NS5b RNA polymerase inhibitors. Bioorg Med Chem Lett. 2008 May 1;18(9):2990-5.

安全信息

Warnings IRRITANT
WGK Germany2
GHS Symbol
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。
  • P305+P351+P338
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
RTECSMC0555300
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
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；
Hazard Codes Xi
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
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >7500 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   106,406,1967

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 865 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   BCFAAI Bollettino Chimico Farmaceutico.  (Societa Editoriale Farmaceutica,
   Via Ausonio 12, 20123 Milan, Italy)  V.33-    1894- Volume(issue)/page/year:
   106,406,1967

系列性分类

  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Unnatural Amino Acid Derivatives 人工合成氨基酸
  5. Glycine Derivatives - Unnatural Amino Acid Derivatives
  1. Chemical Synthesis 化学合成
  2. Chemical Biology 生物化学
  3. Peptide Chemistry 多肽化学
  4. Unnatural Amino Acid Derivatives 人工合成氨基酸
  5. Glycine Derivatives - Unnatural Amino Acid Derivatives
  1. Medical Research Areas
  2. Metabolism
  3. Endogenous Metabolite  (内源性代谢物)

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