7-(2,3-Dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione 7-(2,3-二羟基丙基)-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮

CAS 479-18-5 MFCD00005759

化学结构图

479-18-5
SMILES: Cn1c(=O)c2c(ncn2CC(O)CO)n(C)c1=O

化学属性

Mol. FormulaC10H14N4O4
Mol. Weight254.24
Density1.57
Melting Point161-162
Solubility33 G/100 ML (25 ºC)
TSCAYes
Stability对光敏感
Appearance 白色结晶性粉末。熔点158℃(159-163.5℃)。易溶于水,1克本品可溶于3毫升水(25℃);在乙醇中的溶解度2克/100毫升,在氯仿中1克/100毫升。无臭,味苦。

别名和识别编码

Chemical Name7-(2,3-Dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
MDL NumberMFCD00005759
CAS Number479-18-5
EC Number207-526-1
Beilstein Registry Number284563
Synonym (1,2-Dihydroxy-3-propyl)thiophyllin 1,3-Dimethyl-7-(2,3-dihydroxypropyl)xanthine 1,3-二甲基-7-(2,3-二羟基丙基)-3,7-二氢-1H-嘌呤-2 1h-purine-2, 7(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1h-purine-6-dione 7-(2,3-Dihydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione 7-(2,3-Dihydroxypropyl)theophylline 7-(2,3-dihydroxypropyl)-1,3-d Astmamasit COR-theophylline DIPHYLLIN DIPROPHYLLIN DIPROPHYLLINE DYPHYLLINE Diprophyllin Dyphylline Glyphylline Neo-vasophylline Neutraphylline Neutroxantina Propyphyllin Purifilin Solufyllin TIMTEC-BB SBB003125 Thefylan {} {Chemi {} {} {Chemicalb {} {} {Chemicalboo {} {} {haz {} {} {hazar {Chem
PubChem Substance ID3182
Merck Number14,3479
Chemical Name Translation7-(2,3-二羟基丙基)-1,3-二甲基-3,7-二氢-1H-嘌呤-2,6-二酮
Wiswesser Line NotationT56 BN DN FNVNVJ B1YQ1Q F1 H1
LabNetwork Molecule IDLN00225897
InChIInChI=1S/C10H14N4O4/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15/h5-6,15-16H,3-4H2,1-2H3
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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} Cell Signaling and Neuroscience, Cyclic Nucleotide Metabolism, G Proteins and Cyclic Nucleotides, Phosphodiesterase Inhibitors, 细胞生物学
  • {SA} Cell Biology, Cell Signaling and Neuroscience, Cyclic Nucleotide Metabolism, G Proteins and Cyclic Nucleotides, Phosphodiesterase Inhibitors
  • {SNA} Cell Biology, Cell Signaling and Neuroscience, Cyclic Nucleotide Metabolism, G Proteins and Cyclic Nucleotides, Phosphodiesterase Inhibitors

相关文献及参考

  • [2]. Yosry El-said, et al. In-vitro evaluation of sustained-release dyphylline tablets. Drug Development and Industrial Pharmacy. Volume 17, 1991 - Issue 2
  • Merck: 14,3479
  • Merck: 14,3479 Beilstein: 26,IV,2370
  • [1]. Schwabe U, et al. Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21.
  • [1]. Schwabe U, et al. Xanthine derivatives as antagonists at A1 and A2 adenosine receptors. Naunyn Schmiedebergs Arch Pharmacol. 1985 Sep;330(3):212-21.
  • [2]. Yosry El-said, et al. In-vitro evaluation of sustained-release dyphylline tablets. Drug Development and Industrial Pharmacy. Volume 17, 1991 - Issue 2

安全信息

Signal word Warning
GHS Symbol
WGK Germany3
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
  • P281 Use personal protective equipment as required. 使用所需的个人防护装备。
Hazard statements
  • H302 Harmful if swallowed 吞食有害
RTECSXH5100000
Personal Protective Equipment dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes Xn
Storage condition 密封避光保存
TYPE OF TEST            : LD50 - Let

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Subcutaneous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1052 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   ARZNAD Arzneimittel-Forschung. Drug Research.  (Editio Cantor Verlag,
   Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.)  V.1-    1951-
   Volume(issue)/page/year: 6,601,1956

TYPE OF TEST            : LD5

TYPE OF TEST            : LD - Lethal dose
ROUTE OF EXPOSURE       : Oral
SPECIES OBSERVED        : Rodent - rat
DOSE/DURATION           : >400 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: 35,266,1946

TYPE OF TEST

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intraperitoneal
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 195 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   STRAAA Strahlentherapie.  (Urban & Schwarzenberg, Postfach 202440, D-8000
   Munich 2, Fed. Rep. Ger.) V.1-    1912-  Volume(issue)/page/year:
   127,245,1965

TYPE OF TEST            : LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE       : Intravenous
SPECIES OBSERVED        : Rodent - mouse
DOSE/DURATION           : 1080 mg/kg
TOXIC EFFECTS :
   Details of toxic effects not reported other than lethal dose value
REFERENCE :
   RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New
   York, NY)  V.1-3, 1964-72.  Discontinued.  Volume(issue)/page/year:
   2,288,1970

其他信息

  • 二羟丙茶碱价格(试剂级):更新日期 产品编号 产品名称 包装 价格 2010/06/21 115055000 二羟丙茶碱 7-(2,3-Dihydroxypropyl)theophylline 99% 500 GR 2522元 2010/06/21 115051000 二羟丙茶碱 7-(2,3-Dihydroxypropyl)theophylline 99% 100 GR 890元
  • 方法一:由茶碱钠盐与一氯丙二醇经缩合而得。
  • Acros Organics:7-(2,3-二羟丙基)茶碱 7-(2,3-Dihydroxypropyl)theophylline, 99%(479-18-5)
  • 用途二:本品与氨茶碱同属黄嘌呤类扩张支气管药,适用于治疗支气管哮喘、喘息性支气管炎及慢性肺气肿等,也可用于预防支气管哮喘发作,还可用于心绞痛及心脏性水肿的治疗。茶碱是黄嘌呤类药物的代表性品种,为了改善茶碱的溶解度而发展出氨茶碱(茶碱与乙二胺的复盐)、胆茶碱(茶碱与胆碱的复盐)、二羟丙茶碱(茶碱N-7位衍生物)等。二羟丙茶碱水溶性较氨茶碱大,但作用较茶碱弱,其毒性约为氨茶碱的1/5。鼠口服LD50为3400毫克/公斤。
  • 图谱信息:二羟丙茶碱(479-18-5)红外图谱(IR1) 二羟丙茶碱(479-18-5)红外图谱(IR2)
  • 无臭,味苦;遇光易变质。易溶于水,微溶于乙醇。水溶液pH为6.5—7.4,10.87%水溶液为等渗溶液。溶解度:1g/3ml 水(25 C)、2g/100ml 乙醇和1g/100ml 氯仿。
  • 上游原料:丙二醇 --> 茶碱钠盐
  • MSDS 信息:Diprophylline(479-18-5).msds
  • Sigma Aldrich:479-18-5(sigmaaldrich)
  • 用途一:有扩张支气管和冠状动脉的作用,并有利尿作用。
  • 检测方法:HPLC,NMR
  • MOL 文件:479-18-5.mol

系列性分类


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