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110140-89-1 分子结构
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5-{[(E)-{pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}pentanoic acid

ChemBase编号:1077
分子式:C18H17F3N2O3
平均质量:366.3343896
单一同位素质量:366.11912707
SMILES和InChIs

SMILES:
FC(F)(F)c1cc(/C(=N\OCCCCC(=O)O)/c2cccnc2)ccc1
Canonical SMILES:
OC(=O)CCCCO/N=C(\c1cccc(c1)C(F)(F)F)/c1cccnc1
InChI:
InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25)/b23-17+
InChIKey:
GLLPUTYLZIKEGF-HAVVHWLPSA-N

引用这个纪录

CBID:1077 http://www.chembase.cn/molecule-1077.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
5-{[(E)-{pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino]oxy}pentanoic acid
IUPAC传统名
ridogrelum
别名
Ridogrelum [INN-Latin]
Ridogrel
CAS号
110140-89-1
PubChem SID
46506774
160964540
PubChem CID
5362391

数据来源

数据来源

所有数据来源 商品来源 非商品来源
数据来源 数据ID
DrugBank DB01207 external link
PubChem 5362391 external link
数据来源 数据ID 价格

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 3.5016081  质子受体
质子供体 LogD (pH = 5.5) 2.0985515 
LogD (pH = 7.4) 0.61658835  Log P 3.1325717 
摩尔折射率 88.8943 cm3 极化性 33.11654 Å3
极化表面积 71.78 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 3.24  LOG S -4.64 
溶解度 8.39e-03 g/l 

分子性质

分子性质

理化性质 生物活性(PubChem)
疏水性(logP)
4.3 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB01207 external link
Item Information
Drug Groups approved
Description Ridogrel is a dual action drug useful for the prevention of systemic thrombo-embolism and as an adjunctive agent to thrombolytic therapy in acute myocardial infarction. However, there currently are no clinical indications for preferential use of ridogrel over aspirin.
Indication Used as an adjunctive therapy to induce thrombolysis in patients suffering acute myocardial infarction.
Pharmacology Ridogrel, a combined thromboxane synthase inhibitor and receptor antagonist, is used with streptokinase as an adjunctive therapy to reduce the formation and size of blood clots. Blood clots can cause ischemic cardiac events (heart attacks). Ridogrel has the dual property of inhibiting the synthesis of thromboxane and blocking the receptors of thromboxane/prostaglandin/endoperoxides. It has been shown to accelerate the speed of recanalization and to delay or prevent reocclusion during systemic thrombolysis with tissue plasminogen activator (streptokinase). Ridogrel is a more potent antiplatelet agent than aspirin and might offer an advantage over aspirin as an adjunct to thrombolysis in patients suffering from acute myocardial infarction. While aspirin inhibits cyclooxygenase, the enzyme responsible for producing thromboxane, ridogrel inhibits thromboxane synthesis directly. A recent comparison between aspirin and ridogrel in as adjunct to thrombolysis in patients with acute myocardial infarction demonstrated that ridogrel is not superior to aspirin in enhancing the fibrinolytic efficacy of streptokinase but might be more effective in preventing new ischemic events. Clinical experience with this drug is still relatively limited.
Affected Organisms
Humans and other mammals
Absorption Rapidly absorbed after oral administration (30-60 min)
Protein Binding Approximately 60% bound to plasma proteins

参考文献

参考文献

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专利

专利

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