7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione BETA-羟基乙基茶碱

CAS 519-37-9 MFCD00055055

化学结构图

519-37-9
SMILES: Cn1c(=O)c2c(ncn2CCO)n(C)c1=O

化学属性

Mol. FormulaC9H12N4O3
Mol. Weight224.22
Melting Point162.0 to 166.0 deg-C
SolubilityH2O: Solutions may be stored for several days at 4°C.soluble
Appearance solid

别名和识别编码

Chemical Name7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
CAS Number519-37-9
Synonym ######## 1,3-DIMETHYL-7-(BETA-HYDROXYETHYL)XANTHINE 1,3-DIMETHYL-7-[2-HYDROXYETHYL]-XANTHINE 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine 1,3-Dimethyl-7-(2-hydroxyethyl)xanthine 7-(β-Hydroxyethyl)theophylline 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl- 3,7-Dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1H-purine-2,6-dione 3,7-dihydro-7-(2-hydroxyethyl)-1,3-dimethyl-1h-purine-6-dione 3,7-二氢-7-(2-羟乙基)-1,3-二甲基-1H-嘌呤-2,6-二酮 7-(β-Hydroxyethyl)theophylline 7-(2'-Hydroxyethyl)theophylline 7-(2-HYDROXYETHYL)THEOPHYLLINE 7-(2-Hydroxyethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-(2-Hydroxyethyl)-1,3-dimethylxanthine 7-(2-Hydroxyethyl)theophylline 7-(2-hydroxyethyl)-theophyllin 7-(2-hydroxyethyl)theophylline 7-(2-羟乙基)茶碱 {Chemicalbo
MDL NumberMFCD00055055
PubChem Substance ID1892
EC Number208-269-8
Alfabeta NameHYDROXYETHYLDIMETHYLDIHYDROPURINEDIONE H721337126()----------,,,
Merck Number3878
Chemical Name TranslationBETA-羟基乙基茶碱
Wiswesser Line NotationT56 BN DN FNVNVJ B2Q F1 H1
Beilstein Registry Number0251760
LabNetwork Molecule IDLN00184815
InChIInChI=1S/C9H12N4O3/c1-11-7-6(8(15)12(2)9(11)16)13(3-4-14)5-10-7/h5,14H,3-4H2,1-2H3
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分类

  • {SNA} Analytical Standards, Analytical/Chromatography, Chromatography, EP Standards, EP Standards E - F, Pharmaceutical Standards,
  • Bases & Related Reagents
  • {SNA} Analytical Standards, EP Standards, EP Standards E - F, Pharmacopeia Metrological Institutes Standards, 分析/色谱
  • Nucleotides
  • {SNA} Bioactive Small Molecule Alphabetical Index, Cyclic Nucleotide Metabolism, G Proteins and Cyclic Nucleotides, H, 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} Analytical Standards, Chromatography, EP Standards, EP Standards E - F, Pharmaceutical Standards, Pharmacopeia Standards,

产品应用

  • An inhibitor of 3?,5?-Cyclic Nucleotide Phosphodiesterase. Therapeutically, this compound has diuretic, muscle relaxant, bronchial dilation and CNS stimulant activities.

相关文献及参考

  • Geraets, L., et al.: Biochem. Pharmacol., 72, 902 (2006),

安全信息

GHS Symbol
Hazard statements
  • H302 Harmful if swallowed 吞食有害
WGK Germany3
Signal word Warning
RTECSXH5850000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Warnings IRRITANT
Safety Statements
  • S36 Wear suitable protective clothing 穿戴适当的防护服;
Hazard Codes Xn
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       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 710 mg/kg
TOXIC EFFECTS :
   Liver - other changes
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 30,2023,1980

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 176 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 230,194,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : 486 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(issue)/page/year: 230,194,1957

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 344 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   AEPPAE Naunyn-Schmiedeberg's Archiv fuer Experimentelle Pathologie und
   Pharmakologie.  (Berlin, Ger.) V.110-253, 1925-66.  For publisher
   information, see NSAPCC.  Volume(iss

TYPE OF TEST            : TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE                    : 90 gm/kg
SEX/DURATION            : female 90 day(s) pre-mating
TOXIC EFFECTS :
   Reproductive - Maternal Effects - uterus, cervix, vagina
REFERENCE :
   YACHDS Yakuri to Chiryo.  Pharmacology and Therapeutics.  (Raifu Saiensu
   Shuppan K.K., 2-5-13, Yaesu, Chuo-ku, Tokyo 104, Japan)  V.1-    1972-
   Volume(issue)/page/year: 8,383,1980

其他信息

  • BETA-羟基乙基茶碱价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2014/06/02 H0402 7-(2-羟基乙基)茶碱 7-(2-Hydroxyethyl)theophylline 500G 5190元 2014/06/02 H0402 7-(2-羟基乙基)茶碱 7-(2-Hydroxyethyl)theophylline 25G 696元
  • color:white
  • Sigma Aldrich:519-37-9(sigmaaldrich)
  • MOL 文件:519-37-9.mol
  • 图谱信息:BETA-羟基乙基茶碱(519-37-9)核磁图( 1 HNMR) BETA-羟基乙基茶碱(519-37-9)红外图谱(IR2) BETA-羟基乙基茶碱(519-37-9)核磁图( 13 CNMR) BETA-羟基乙基茶碱(519-37-9)红外图谱(IR1) BETA-羟基乙基茶碱(519-37-9)质谱(MS)
  • 用途一:益多酯的中间体。
  • TCI Shanghai:7-(2-羟基乙基)茶碱 7-(2-Hydroxyethyl)theophylline,>;98.0%(LC)(N)(519-37-9)

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