8-Cyclopentyl-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione 8-环戊基-1,3-二甲基-1H-嘌呤-2,6(3H,7H)-二酮

CAS 35873-49-5 MFCD00055116

化学结构图

35873-49-5
SMILES: CN1C(=O)C2NC(=NC=2N(C)C1=O)C1CCCC1

化学属性

Mol. FormulaC12H16N4O2
Mol. Weight248.28
TSCANo
Melting Point250-252°

别名和识别编码

Chemical Name8-Cyclopentyl-1,3-Dimethyl-1H-Purine-2,6(3H,7H)-Dione
CAS Number35873-49-5
Synonym NSC 101806 8-Cyclopentyl-1,3-dimethylxanthine 1H-Purine-2,6-dione, 8-cyclopentyl-3,7-dihydro-1,3-dimethyl- Xanthine, 8-cyclopentyl-1,3-dimethyl- 8-Cyclopentyl-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione 8-Cyclopentyl theophylline 8-Cyclopentyltheophylline CPT, NSC 101806 8-Cyclopentyltheophylline CPT
MDL NumberMFCD00055116
PubChem Substance ID24277730
Chemical Name Translation8-环戊基-1,3-二甲基-1H-嘌呤-2,6(3H,7H)-二酮
Wiswesser Line NotationT56 BM DN FNVNVJ F1 H1 C- AL5TJ
Beilstein Registry Number1133199
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分类

  • Heterocycles
  • {SNA} Adenosines/P2 Nucleotide Receptor - Antagonists, Adenosines/P2 Nucleotide Receptors (Purinergics), Antagonists, Bioactive Small Molecules, Biochemicals and Reagents, CI-CY, Cell Biology, Cell Signaling and Neuroscience, GPCR Modulators, GPCR Proteins, Modulators and Antibodies, Membrane Protein Biology Tools, Neuroscience, Neurotransmission, Neurotransmitters, Proteins and Derivatives
  • Neurochemicals
  • Inhibitors
  • {SNA} Adenosines/P2 Nucleotide Receptor - Antagonists, Adenosines/P2 Nucleotide Receptors (Purinergics), Antagonists, Bioactive Small Molecule Alphabetical Index, CI-CZ, GPCR Modulators, GPCR Proteins, Modulators and Antibodies,

产品应用

  • A selective A1 adenosine receptor antagonist. Binding activity in rat brain membranes: Ki = 10.9 nM (A1 receptor); Ki = 1440 nM (A2 receptor).

相关文献及参考

  • Klaasse, E., et al.: Eur. J. Pharmacol., 499, 91 (2004),
  • [1]. K A Jacobson, et al. Sulfur-containing 1,3-dialkylxanthine derivatives as selective antagonists at A1-adenosine receptors. J Med Chem. 1989 Aug;32(8):1873-9.

安全信息

RTECSXH5093600
WGK Germany3
Personal Protective Equipment Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter 
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 200 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   JMCMAR Journal of Medicinal Chemistry.  (American Chemical Soc.,
   Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC
   20037)  V.6-    1963-  Volume(issue)/page/year: 14,1202,1971

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 18 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems
   Laboratory, NIOSH Exchange Chemicals.  (Aberdeen Proving Ground, MD 21010)
   Volume(issue)/page/year: NX#06862

系列性分类

  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
  1. Medical Research Areas
  2. GPCR & G Protein
  3. Adenosine Receptor  (腺苷受体)

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