3-Nitropropionic acid 3-硝基丙酸

CAS 504-88-1 MFCD00007406

化学结构图

504-88-1
SMILES: O=C(O)CC[N+](=O)[O-]

化学属性

Mol. FormulaC3H5NO4
Mol. Weight119.08
Melting Point56-60°C
Density1.393
Boiling Point

别名和识别编码

Chemical Name3-Nitropropionic acid
CAS Number504-88-1
PubChem Substance ID1678
EC Number208-003-0
Beilstein Registry Number1759889
MDL NumberMFCD00007406
Synonym 3-NP acid 3-Nitro-propionic acid 3-Nitropropanoic acid 3-Nitropropionic Acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} propionate 3-nitronate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} beta-nitropropionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 3-nitropropionic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 3-nitropropionate {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {PubChem} 3-nitropropanoic acid {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {}
Chemical Name Translation3-硝基丙酸
Wiswesser Line NotationWN2VQ
InChIInChI=1S/C3H5NO4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)
LabNetwork Molecule IDLN01815553
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分类

  • Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Enzymes, Inhibitors, and Substrates, Excitatory Amino Acids, N, Neuroscience, Neurotransmission, Neurotransmitters, Others, R to Z, Succinyl Dehydrogenase
  • {SNA} Bioactive Small Molecule Alphabetical In
  • {SNA} Bioactive Small Molecule Alphabetical Index, Enzyme Inhibitors, Enzyme Inhibitors by Enzyme, Excitatory Amino Acids, N, Neuroscience, Neurotransmission, Neurotransmitters, Others, R to Z,

产品应用

  • 属兴奋性神经毒素(Excitotoxin),能导致脑部病变类似亨廷顿氏症(Huntington′s disease)的人。活性定点琥珀酸脱氢酶抑制剂;合成5-硝基-1,3-二酮(5-nitro-1,3-diketones)的试剂。

相关文献及参考

  • Cooper, J.M., and Schapira, A.H., Mitochondrial dysfunction in neurodegeneration. J. Bioenerg. Biomembr. 29 , 175-183, (1997) 摘要
  • Beilstein: 2,IV,771
  • Short: III/35B
  • Schulz, J.B., et al., The role of mitochondrial dysfunction and neuronal nitric oxide in animal models of neurodegenerative diseases. Mol. Cell Biochem. 174 , 193-197, (1997) 摘要
  • Short: III/5a
  • Beil. 2 ,IV,771

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H301 Toxic if swallowed 吞食有毒
  • 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 Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Hazard Codes T
RTECSUF6220000
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。
  • P264+P265
  • 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。
  • P271 Use only outdoors or in a well-ventilated area.? 只能在室外或通风良好的地方使用。
  • 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。
  • P301+P310
  • P301+P316
  • P302+P352
  • P304+P340
  • P305+P351+P338
  • P319
  • P321 Specific treatment (see … on this label). 具体治疗(见本标签上的)。
  • P330 Rinse mouth. 漱口
  • P332+P317
  • P337+P317
  • P362+P364
  • P403+P233
  • P405 Store locked up. 上锁保管。
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
Signal word Danger
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;
  • S45 In case of accident or if you feel unwell seek medical advice immediately (show the label where possible) 发生事故时或感觉不适时,立即求医(可能时出示标签);
Risk Statements
  • R25 Toxic if swallowed 吞咽有毒
  • R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
Storage condition -20 -20°C -20℃ 储存温度 2-8°C
TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 1870 mg/kg/2Y-I
TOXIC EFFECTS :
   Tumorigenic - neoplastic by RTECS criteria
   Gastrointestinal - tumors
   Liver - tumors
REFERENCE :
   NCITR* National Cancer Institute Carcinogenesis Technical Report Series.
   (Bethesda, MD)  No.0-205. For publisher information, see NTPTR*.
   Volume(issue)/page/year: NCI-TR-52,1978

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 68100 ug/kg
TOXIC EFFECTS :
   Behavioral - ataxia
REFERENCE :
   CHYCDW Zhonghua Yufangyixue Zazhi.  Chinese Journal of Preventive Medicine.
   (China International Book Trading Corp., POB 2820, Beijing, Peop. Rep.
   China)  Beginning history not known.  Volume(issue)/page/year: 20,321,1986

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 50 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAJAAA Journal of Antibiotics, Series A.  (Tokyo, Japan)  V.6-20, 1953-67.
   For publisher information, see JANTAJ.  Volume(issue)/page/year: 13,133,1960

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 22 mg/kg
TOXIC EFFECTS :
   Behavioral - altered sleep time (including change in righting reflex)
   Behavioral - somnolence (general depressed activity)
   Lungs, Thorax, or Respiration - respiratory stimulation
REFERENCE :
   TOLED5 Toxicology Letters.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1977-  Volume(issue)/page/year: 27,83,1985

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 67 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
   Behavioral - coma
   Lungs, Thorax, or Respiration - dyspnea
REFERENCE :
   TXAPA9 Toxicology and Applied Pharmacology.  (Academic Press, Inc., 1 E.
   First St., Duluth, MN 55802) V.1-    1959-  Volume(issue)/page/year:

TYPE OF TEST            : Morphological transformation
TEST SYSTEM             : Rodent - rat Embryo
DOSE/DURATION           : 970 ng/plate
REFERENCE :
   JJATDK JAT, Journal of Applied Toxicology.  (John Wiley & Sons Ltd., Baffins
   Lane, Chichester, W. Sussex PO19 1UD, UK)  V.1-    1981-
   Volume(issue)/page/year: 1,190,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 200 mg/L
REFERENCE :
   EMMUEG Environmental and Molecular Mutagenesis.  (Alan R. Liss, Inc., 41 E.
   11th St., New York, NY 10003)  V.10-    1987-  Volume(issue)/page/year:
   12(Suppl 13),103,1988

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   IAPUDO IARC Publications.  (WHO Publications Centre USA, 49 Sheridan Ave.,
   Albany, NY 12210) No.27-    1979-  Vol

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Salmonella typhimurium
DOSE/DURATION           : 100 ug/plate
REFERENCE :
   ENMUDM Environmental Mutagenesis.  (New York, NY)  V.1-9, 1979-87.  For
   publisher information, see EMMUEG.  Volume(issue)/

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Rodent - mouse Lymphocyte
DOSE/DURATION           : 50 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 196,61,1988

TYPE OF TEST            : Mutation in mammalian somatic cells
TEST SYSTEM             : Human Lymphocyte
DOSE/DURATION           : 200 mg/L
REFERENCE :
   MUREAV Mutation Research.  (Elsevier Science Pub. B.V., POB 211, 1000 AE
   Amsterdam, Netherlands) V.1-    1964-  Volume(issue)/page/year: 196,61,1988

TYPE OF TE

系列性分类


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