7-(2-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione 7-(2-羟丙基)-1,3-二甲基-3,7-二氢-1h-嘌呤-2,6-二酮

CAS 603-00-9 MFCD00022833

化学结构图

603-00-9
SMILES: CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C

化学属性

Mol. FormulaC10H14N4O3
Mol. Weight238.25
Melting Point134.0 to 138.0 deg-C

别名和识别编码

Chemical Name7-(2-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione
CAS Number603-00-9
Synonym ######## (1,3-Dimethyl-7-[2-hydroxypropyl]-2,6-dioxopurine) 7-(β-Hydroxypropyl)theophylline Proxyphylline (1,3-Dimethyl-7-[2-hydroxypropyl]-2,6-dioxopurine) Proxyphylline 1,3-Dimethyl-7-(2-hydroxypropyl)xanthine 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)- 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl- 2-Hydroxypropyl-7-theophylline 3,7-Dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione 3,7-dihydro-1,3-dimethyl-7-(2-hydroxypropyl)-1h-purine-6-dione 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-1h-purine-6-dione 7-(2-Hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-(2-Hydroxypropyl)theophylline 7-(2-hydroxypropyl)-theophyllin 7-(2-hydroxypropyl)theophylline 7-(BETA-HYDROXYPROPYL)THEOPHYLLINE 7-(b
MDL NumberMFCD00022833
EC Number210-028-7
Chemical Name Translation7-(2-羟丙基)-1,3-二甲基-3,7-二氢-1h-嘌呤-2,6-二酮
Reaxys-RN262773
Merck Number7905
Wiswesser Line NotationT56 BN DN FNVNVJ B1YQ1 F1 H1
LabNetwork Molecule IDLN00240959
PubChem Substance ID253660319
InChIInChI=1S/C10H14N4O3/c1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2/h5-6,15H,4H2,1-3H3
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分类

  • Heterocycles
  • {SNA} Analytical Standards, Chromatography, EP Standards, EP Standards P - R, Pharmaceutical Standards, Pharmacopeia Standards, 分析/色谱
  • Pharmaceuticals
  • Intermediates & Fine Chemicals
  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards P - R, Pharmaceutical Standards, Pharmacopeia Standards
  • Metabolites & Impurities

产品应用

  • A metabolite of Theophylline

相关文献及参考

  • [2]. Kukovetz WR, et al. Overadditive synergism between theophylline, diprophylline and proxyphylline in tracheal smooth muscle relaxation. Arzneimittelforschung. 1983;33(10):1450-4.
  • [3]. Rasmussen FV, et al. Pharmacokinetics and bronchodilatory effect of proxyphylline and theophylline. Eur J Respir Dis. 1984 Jan;65(1):20-7.
  • [4]. Selvig K, et al. Inhibition of human lung cyclic nucleotide phosphodiesterases by proxyphylline, theophylline and their metabolites. Acta Pharmacol Toxicol (Copenh). 1982 Sep;51(3):250-2.
  • Young, R., et al.: J. Med. Chem., 28, 201 (1993)
  • [1]. Takeda K, et al. Effects of aminophylline, proxyphylline and a proxyphylline-Melilotus extract-rutin mixture(theoesberiven) on the heart and the coronary circulat
  • [1]. Takeda K, et al. Effects of aminophylline, proxyphylline and a proxyphylline-Melilotus extract-rutin mixture(theoesberiven) on the heart and the coronary circulation. Jpn J Pharmacol. 1977 Oct;27(5):709-20.

安全信息

GHS Symbol
WGK Germany3
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSXH5907500
Signal word Warning
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Faceshields, Gloves
Hazard Codes Xn
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服；
Risk Statements
  • R22 Harmful if swallowed 吞咽有害
Precautionary statements
  • P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
  • 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。
  • P301+P312
  • P301+P312+P330
  • P330 Rinse mouth. 漱口
  • P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 505 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported o

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 739 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,1178,1995

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 475 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: -,1178,1995

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 460 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   OYYAA2 Oyo Yakuri.  Pharmacometrics.  (Oyo Yakuri Kenkyukai, CPO Box 180,
   Sendai 980-91, Japan) V.1-    1967-  Volume(issue)/page/year: 19,845,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 445 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   NIIRDN Drugs in Japan (Ethical Drugs).  (Yakugyo Jiho Co., Ltd., Tokyo,
   Japan)  Volume(issue)/page/year: 6,720,1982

TYPE OF TEST            : LD50 -

其他信息

  • MOL 文件:603-00-9.mol
  • 用途一:用于治疗支气管哮喘、喘息性支气管炎等病症
  • Sigma Aldrich:603-00-9(sigmaaldrich)

系列性分类

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

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