1,7-Dimethyl-1H-Purine-2,6(3H,7H)-Dione 1,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮

CAS 611-59-6 MFCD00005727

化学结构图

611-59-6
SMILES: Cn1c(=O)[nH]c2ncn(C)c2c1=O

化学属性

Mol. FormulaC7H8N4O2
Mol. Weight180
Melting Point294-296 °C(lit.)

别名和识别编码

Chemical Name1,7-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
MDL NumberMFCD00005727
CAS Number611-59-6
Synonym 1,7-Dimethyl-1H-purine-2,6-dione 2,6-Dihydroxy-1,7-dimethylpurine Paraxanthine 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione 1,7-Dimethyl-1H-purine-2,6-dione 2,6-Dihydroxy-1,7-dimethylpurine NSC 400018 Paraxanthine 1,7-Dimethylxanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl- 3,7-Dihydro-1,7-dimethyl-1H-purine-2,6-dione
Beilstein Registry Number197907
EC Number210-271-9
PubChem Substance ID24277678
Chemical Name Translation1,7-二甲基-1H-嘌呤-2,6(3H,7H)-二酮
Wiswesser Line NotationT56 BN DN FMVNVJ B1 H1
LabNetwork Molecule IDLN01292272
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分类

  • {SNA} Bioactive Small Molecule Alphabetical Index, Cyclic Nucleotide Metabolism, DIG-DY, G Proteins and Cyclic Nucleotides, Phosphodiesterase Inhibitors, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
  • {SNA} Bioactive Small Molecules, Cell Biology, Cell Signaling and Neuroscience, Cyclic Nucleotide Metabolism, DIG-DY, G Proteins and Cyclic Nucleotides, Phosphodiesterase Inhibitors
  • {SA} 1694 Pharmaceuticals & Personal Care Products, Analytical Standards, Analytical/Chromatography, Building Blocks, Chemical Synthesis, EPA, Heterocyclic Building Blocks, Method Specific, Neats, Purine

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSRV9380000
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Storage condition room temp
TYPE OF TEST            : Unscheduled DNA synthesis
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 1 mmol/L
REFERENCE :
   BIOJAU Biophysical Journal.  (Rockefeller Univ. Press, 1230 York Ave., New
   York, NY 10021) V.1-    1960-  Volume(issue)/page/year: 35,665,1981

TYPE OF TEST            : DNA inhibition
TEST SYSTEM             : Human Cells - not otherwise specified
DOSE/DURATION           : 4 mmol/L
REFERENCE :
   BIOJAU Biophysical Journal.  (Rockefeller Univ. Press, 1230 York Ave., New
   York, NY 10021) V.1-    1960-  Volume(issue)/page/year: 35,665,1981

TYPE OF TEST            : Mutation in microorganisms
TEST SYSTEM             : Bacteria - Escherichia coli
DOSE/DURATION           : 150 mg/L
REFERENCE :
   CSHSAZ Cold Spring Harbor Symposia on Quantitative Biology.  (Cold Spring
   Harbor Laboratory, POB 100, Cold Spring Harbor, NY 11724)  V.1-    1933-
   Volume(issue)/page/year: 16,337,1952

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE                    : 600 mg/kg
SEX/DURATION            : female 11-12 day(s) after conception
TOXIC EFFECTS :
   Reproductive - Specific Developmental Abnormalities - eye/ear
   Reproductive - Specific Developmental Abnormalities - craniofacial
   (including nose and tongue)
   Reproductive - Specific Developmental Abnormalities - musculoskeletal system
REFERENCE :
   TJADAB Teratology, The International Journal of Abnormal Development. (Alan
   R. Liss, Inc., 41 E. 11th St., New York, NY 10003)  V.1-    1968-
   Volume(issue)/page/year: 34,279,1986

系列性分类


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