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58-32-2 分子结构
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2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol

ChemBase编号:850
分子式:C24H40N8O4
平均质量:504.6256
单一同位素质量:504.3172518
SMILES和InChIs

SMILES:
OCCN(c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO)CCO
Canonical SMILES:
OCCN(c1nc(N2CCCCC2)c2c(n1)c(nc(n2)N(CCO)CCO)N1CCCCC1)CCO
InChI:
InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
InChIKey:
IZEKFCXSFNUWAM-UHFFFAOYSA-N

引用这个纪录

CBID:850 http://www.chembase.cn/molecule-850.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)pyrimido[5,4-d][1,3]diazin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
IUPAC传统名
persantine
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
dipyridamole
商标名
Aggrenox
Agilease
Anginal
Apo-Dipyridamole Fc
Apo-Dipyridamole Sc
Apricor
Cardioflux
Cardoxil
Chilcolan
Cleridium
Cleridium 150
Coribon
Coridil
Coronarine
Corosan
Coroxin
Curantyl
Dipyridan
Gulliostin
IV Persantine
Justpertin
Kurantil
Natyl
Novo-Dipiradol
Peridamol
Permiltin
Persantin
Persantine
Piroan
Prandiol
Prandiol 75
Protangix
RA 8
RA-8
Stenocardil
Stenocardiol
Stimolcardio
别名
2,2',2'',2'''-((4,8-Di(piperidin-1-yl)pyrimido[5,4-d]-pyrimidine-2,6-diyl)bis(azanetriyl))tetraethanol
Permole
Persantine
Dipyridan
2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl}(2-hydroxyethyl)amino)ethan-1-ol
Persantin
Curantyl
2,2',2'',2'''-((4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl)bis(azanetriyl))tetraethanol
Dipyridamole
2,2',2'',2'''-(4,8-Dipiperidino-pyrimido [5,4-d] pyrimidine-2,6-diyldinitrilotetraethanol
Dipyridamol
Dipyridamine
Dypyridamol
Dipyudamine
Usaf Ge-12
Dipiridamol
Dipyridamole
CAS号
58-32-2
EC号
200-374-7
MDL号
MFCD00010555
PubChem SID
24277705
160964313
24857223
46506292
PubChem CID
3108

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 14.971636  质子受体 12 
质子供体 LogD (pH = 5.5) 1.8017116 
LogD (pH = 7.4) 1.8063301  Log P 1.8063892 
摩尔折射率 142.7794 cm3 极化性 53.02881 Å3
极化表面积 145.44 Å2 可自由旋转的化学键 12 
里宾斯基五规则 false 
Log P 1.52  LOG S -2.74 
溶解度 9.22e-01 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
DMSO: soluble expand 查看数据来源
ethanol: soluble expand 查看数据来源
Slightly expand 查看数据来源
外观
yellow powder expand 查看数据来源
熔点
163 expand 查看数据来源
165 - 166°C expand 查看数据来源
165-166 °C(lit.) expand 查看数据来源
疏水性(logP)
1.411 expand 查看数据来源
1.5 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
Room Temperature (15-30°C) expand 查看数据来源
保存注意事项
IRRITANT expand 查看数据来源
RTECS编号
KK7450000 expand 查看数据来源
欧盟危险性物质标志
刺激性(Irritant) 刺激性(Irritant) (Xi) expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
2 expand 查看数据来源
危险公开号
36/37/38 expand 查看数据来源
安全公开号
26-36 expand 查看数据来源
TSCA收录
false expand 查看数据来源
GHS危险品标识
GHS07 expand 查看数据来源
GHS警示词
Warning expand 查看数据来源
GHS危险声明
H315-H319-H335 expand 查看数据来源
GHS警示性声明
P261-P305 + P351 + P338 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
保存温度
room temp expand 查看数据来源
相关基因信息
human ... CYP1A2(1544), PDE10A(10846), PDE5A(8654), SLC29A1(2030)mouse ... Slc29a1(63959) expand 查看数据来源
human ... CYP1A2(1544), PDE10A(10846), SLC29A1(2030)mouse ... Slc29a1(63959) expand 查看数据来源
生物活性机理
Adenosine uptake inhibitor causing indirect adenosine receptor activation expand 查看数据来源
Vasodilator expand 查看数据来源
纯度
≥98% (TLC) expand 查看数据来源
95% expand 查看数据来源
95+% expand 查看数据来源
98% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
应用领域
Coronary vasodilator expand 查看数据来源
Enhances effects of anticoagulants expand 查看数据来源
Empirical Formula (Hill Notation)
C24H40N8O4 expand 查看数据来源

详细说明

详细说明

MP Biomedicals MP Biomedicals DrugBank DrugBank Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich
MP Biomedicals -  02153722 external link
Selective inhibitor of cGMP phosphodiesterase and inhibits
DrugBank -  DB00975 external link
Item Information
Drug Groups approved
Description A phosphodiesterase inhibitor that blocks uptake and metabolism of adenosine by erythrocytes and vascular endothelial cells. Dipyridamole also potentiates the antiaggregating action of prostacyclin. (From AMA Drug Evaluations Annual, 1994, p752)
Indication For as an adjunct to coumarin anticoagulants in the prevention of postoperative thromboembolic complications of cardiac valve replacement and also used in prevention of angina.
Pharmacology Dipyridamole, a non-nitrate coronary vasodilator that also inhibits platelet aggregation, is combined with other anticoagulant drugs, such as warfarin, to prevent thrombosis in patients with valvular or vascular disorders. Dipyridamole is also used in myocardial perfusion imaging, as an antiplatelet agent, and in combination with aspirin for stroke prophylaxis.
Toxicity Hypotension, if it occurs, is likely to be of short duration, but a vasopressor drug may be used if necessary. The oral LD50 in rats is greater than 6,000 mg/kg while in the dogs, the oral LD50 is approximately 400 mg/kg. LD50=8.4g/kg (orally in rat)
Affected Organisms
Humans and other mammals
Biotransformation hepatic
Absorption 70%
Half Life 40 minutes
Protein Binding 99%
Elimination Dipyridamole is metabolized in the liver to the glucuronic acid conjugate and excreted with the bile.
Distribution * 1 to 2.5 L/kg
Clearance * 2.3-3.5 mL/min/kg
References
Diener HC, Cunha L, Forbes C, Sivenius J, Smets P, Lowenthal A: European Stroke Prevention Study. 2. Dipyridamole and acetylsalicylic acid in the secondary prevention of stroke. J Neurol Sci. 1996 Nov;143(1-2):1-13. [Pubmed]
External Links
Wikipedia
RxList
Drugs.com
Selleck Chemicals -  S1895 external link
Related research area: Cardiovascular Disease
Sigma Aldrich -  D9766 external link
Biochem/physiol Actions
Selective inhibitor of phosphodiesterase V (PDE 5); potent coronary vasodilator drug; adenosine transport inhibitor; inhibitor of platelet aggregation.
包装
1, 5, 10, 25 g in glass bottle
Sigma Aldrich -  285676 external link
Biochem/physiol Actions
Selective inhibitor of phosphodiesterase V (PDE 5); potent coronary vasodilator drug; adenosine transport inhibitor; inhibitor of platelet aggregation.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Diener HC, Cunha L, Forbes C, Sivenius J, Smets P, Lowenthal A: European Stroke Prevention Study. 2. Dipyridamole and acetylsalicylic acid in the secondary prevention of stroke. J Neurol Sci. 1996 Nov;143(1-2):1-13. Pubmed
  • www.bentham.org/prc/samples/prc1-1/Higashi.pdf
  • Kadatz, R. et al., Arzneim.-Forsch., 1959, 9, 39, (pharmacol)
  • U.K. Pat., 1959, 807 826; CA, 53, 12317, (synth, pharmacol)
  • Beisenherz, G. et al., Arzneim.-Forsch., 1960, 10, 307, (metab)
  • Takenaka, F. et al., Arzneim.-Forsch., 1972, 22, 892, (tox)
  • Imai, K. et al., Yakugaku Zasshi, 1976, 96, 578; CA, 85, 108103, (synth)
  • Adams, G.E., Adv. Med., 1980, 16, 171, (rev)
  • Luger, P. et al., Acta Cryst. C, 1983, 39, 1454, (cryst struct)
  • Rivey, M.D. et al., Drug Intell. Clin. Pharm., 1984, 18, 869, (rev, pharmacol)
  • Negwer, M., Organic-Chemical Drugs and their Synonyms, 6th edn., Akademie-Verlag, 1987, 7225, (synonyms)
  • Martindale, The Extra Pharmacopoeia, 30th edn., Pharmaceutical Press, 1993, 225
  • Lewis, R.J., Sax's Dangerous Properties of Industrial Materials, 8th edn., Van Nostrand Reinhold, 1992, PCP250
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专利

专利

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