(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(9H-Purin-9-Yl)Tetrahydrofuran-3,4-Diol (2R,3S,4R,5R)-2-(羟甲基)-5-(9H-嘌呤-9-基)四氢呋喃-3,4-二醇

CAS 550-33-4 MFCD00022819

化学结构图

550-33-4
SMILES: OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O

化学属性

Mol. FormulaC10H12N4O4
Mol. Weight252.23
Melting Point181-182 °C
Boiling Point395.4 °C at 760 mmHg

别名和识别编码

Chemical Name(2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(9H-Purin-9-Yl)Tetrahydrofuran-3,4-Diol
CAS Number550-33-4
Synonym Nebularine {LY} Nebularine {} {LY} Nebularine {} {} {LY} Nebularine {} {} {} {LY} Nebularine {} {} {} {} {LY} Nebularine {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {LY} Nebularine {} {} {} {} {} {} {} {} {} {} {} {} {}
MDL NumberMFCD00022819
Beilstein Registry Number0091539
EC Number208-981-9
Chemical Name Translation(2R,3S,4R,5R)-2-(羟甲基)-5-(9H-嘌呤-9-基)四氢呋喃-3,4-二醇
Wiswesser Line NotationT56 BN DN FN HNJ B- BT5OTJ CQ DQ E1Q
PubChem Substance ID68368
InChIInChI=1S/C10H12N4O4/c15-2-6-7(16)8(17)10(18-6)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-17H,2H2/t6-,7-,8-,10-/m1/s1
LabNetwork Molecule IDLN03265362
Canonical SMILESOC[C@@H](O1)[C@@H](O)[C@@H](O)[C@@H]1N2C=NC3=C2N=CN=C3
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分类

  • Nucleotides
  • Bases & Related Reagents

产品应用

  • Shown to have inhibitory effects against mouse Sarcoma 180 and mycobacteria.

相关文献及参考

  • Iwamura, H. and Hashizume, T.: J.O.C., 33, 5 1796 (1968)

安全信息

GHS Symbol
WGK Germany3
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
RTECSUO9100000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - guinea pig
DOSE/DURATION           : 15 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - other changes
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 14,391,1955

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 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: 5,289,1981

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 220 mg/kg
TOXIC EFFECTS :
   Lungs, Thorax, or Respiration - acute pulmonary edema
   Lungs, Thorax, or Respiration - other changes
   Gastrointestinal - other changes
REFERENCE :
   FEPRA7 Federation Proceedings, Federation of American Societies for
   Experimental Biology. (Bethesda, MD)  V.1-46, 1942-87.
   Volume(issue)/page/year: 14,391,1955

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 :
   85GDA2 "CRC Handbook of Antibiotic Compounds," Vols.1- ,  Berdy, J., Boca
   Raton, FL, CRC Press, 1980-  Volume(issue)/page/year: 5,289,1981

Storage condition

系列性分类

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