1,3-Dimethyl-8-phenylxanthine 1,3-二甲基-8-苯基-3,9-二氢-1H-嘌呤-2,6-二酮

CAS 961-45-5 MFCD00005582

化学结构图

961-45-5
SMILES: Cn1c(=O)c2[nH]c(-c3ccccc3)nc2n(C)c1=O

化学属性

Mol. FormulaC13H12N4O2
Mol. Weight256.26
Melting Point>300°C
Boiling Point
Flash Point-

别名和识别编码

Chemical Name1,3-Dimethyl-8-phenylxanthine
Synonym 1,3-Dimethyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione 1,3-Dimethyl-8-phenylxanthine {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {} {
MDL Number-
CAS Number961-45-5
PubChem Substance ID1922
Beilstein Registry Number261704
Chemical Name Translation1,3-二甲基-8-苯基-3,9-二氢-1H-嘌呤-2,6-二酮
InChIInChI=1S/C13H12N4O2/c1-16-11-9(12(18)17(2)13(16)19)14-10(15-11)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,14,15)
Canonical SMILES-
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分类

  • {SNA} Adenosines/P2 Nucleotide Receptor - Antagonists, Adenosines/P2 Nucleotide Receptors (Purinergics), Antagonists, Bioactive Small Molecules, Biochemicals and Reagents, Cell Biology, Cell Signaling and Neuroscience, DIG-DY, GPCR Modulators, GPCR Proteins, Modulators and Antibodies, Membrane Protein Biology Tools,
  • {SNA} Adenosines/P2 Nucleotide Receptor -

相关文献及参考

  • Short: IV/8A Title: Enthalpies of Fusion and Transition of Organic Compounds Author: Zhang, Z.-Y.; Frenkel, M.; March, K.N.; Wilhoit, R.C. Editor: Marsh, K.N. Source: Landolt-Börnstein, New Series Volume: IV/8A Year: 1995 Keyword: organic compounds; enthaly of fusion; melting point; phase transition ISBN: 3-540-58854-X ISBN: 978-3-540-58854-2 Internet Resource: DOI:10.1007/b55145 RefComment: VIII, 588 pages.

安全信息

WGK Germany3
RTECSUO8445700
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 250 mg/kg
TOXIC EFFECTS :
   Behavioral - somnolence (general depressed activity)
REFERENCE :
   USXXAM United States Patent Document.  (U.S. Patent Office, Box 9,
   Washington, DC 20231)  Volume(issue)/page/year: #5032593

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JAPMA8 Journal of the American Pharmaceutical Association, Scientific
   Edition.  (Washington, DC) V.29-49, 1940-60.  For publisher information, see
   JPMSAE.  Volume(issue)/page/year: 43,152,1954

Storage condition -20 -20°C -20°C, Inert atmosphere -20℃

系列性分类

  1. Life Science 生命科学
  2. Cell Biology 细胞生物学
  3. Bioactive Small Molecules - Cell Biology
  4. DIG-DY - Bioactive Small Molecules
  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. Purines 嘌呤
  1. Life Science 生命科学
  2. Biochemicals and Reagents 生化试剂
  3. Proteins and Derivatives - Biochemicals and Reagents
  4. Membrane Protein Biology Tools - Proteins and Derivatives
  5. GPCR Proteins, Modulators and Antibodies - Membrane Protein Biology Tools
  6. GPCR Modulators - GPCR Proteins, Modulators and Antibodies
  7. Adenosines/P2 Nucleotide Receptor - Antagonists - GPCR Modulators

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