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7149-50-0 分子结构
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1,2,3,4-tetrahydroacridin-9-amine

ChemBase编号:266
分子式:C13H14N2
平均质量:198.26366
单一同位素质量:198.11569846
SMILES和InChIs

SMILES:
n1c2c(CCCC2)c(N)c2c1cccc2
Canonical SMILES:
Nc1c2CCCCc2nc2c1cccc2
InChI:
InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
InChIKey:
YLJREFDVOIBQDA-UHFFFAOYSA-N

引用这个纪录

CBID:266 http://www.chembase.cn/molecule-266.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
1,2,3,4-tetrahydroacridin-9-amine
IUPAC传统名
tacrine
商标名
Cognex
Romotal
别名
1,2,3,4-Tetrahydroacridin-9-amine
9-AMINOTETRAHYDROACRIDINE
Tetrahydroaminacrine
Tetrahydroaminoacridine
Tetrahydroaminocrin
Tetrahydroaminocrine
THA
Tacrine
CAS号
7149-50-0
321-64-2
EC号
206-291-2
MDL号
MFCD00046923
PubChem SID
160963729
46505487
PubChem CID
1935

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 0.83008754  LogD (pH = 7.4) 1.254769 
Log P 2.6281447  摩尔折射率 61.7381 cm3
极化性 24.629675 Å3 极化表面积 38.91 Å2
可自由旋转的化学键 里宾斯基五规则 true 
Log P 3.13  LOG S -3.16 
溶解度 1.36e-01 g/l 

分子性质

分子性质

理化性质 安全信息 产品相关信息 生物活性(PubChem)
溶解度
217 mg/L expand 查看数据来源
熔点
284°C expand 查看数据来源
疏水性(logP)
2.2 expand 查看数据来源
保存注意事项
IRRITANT expand 查看数据来源
RTECS编号
AR9532100 expand 查看数据来源
欧盟危险性物质标志
有毒(Toxic) 有毒(Toxic) (T) 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
危险公开号
R:25 expand 查看数据来源
安全公开号
S:28-29-36/37/39-45 expand 查看数据来源
纯度
95+% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank
DrugBank -  DB00382 external link
Item Information
Drug Groups approved
Description A centerally active cholinesterase inhibitor that has been used to counter the effects of muscle relaxants, as a respiratory stimulant, and in the treatment of Alzheimer's disease and other central nervous system disorders. [PubChem]
Indication For the palliative treatment of mild to moderate dementia of the Alzheimer's type.
Pharmacology Tacrine is a parasympathomimetic- a reversible cholinesterase inhibitor that is indicated for the treatment of mild to moderate dementia of the Alzheimer's type. An early pathophysiological feature of Alzheimer's disease that is associated with memory loss and cognitive deficits is a deficiency of acetylcholine as a result of selective loss of cholinergic neurons in the cerebral cortex, nucleus basalis, and hippocampus. Tacrine is postulated to exert its therapeutic effect by enhancing cholinergic function. This is accomplished by increasing the concentration of acetylcholine at cholinergic synapses through reversible inhibition of its hydrolysis by acetylcholinesterase. If this proposed mechanism of action is correct, tacrine's effect may lessen as the disease progresses and fewer cholinergic neurons remain functionally intact. There is no evidence that tacrine alters the course of the underlying dementing process.
Toxicity Overdosage with cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. The estimated median lethal dose of tacrine following a single oral dose in rats is 40 mg/kg, or approximately 12 times the maximum recommended human dose of 160 mg/day.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic. Cytochrome P450 1A2 is the principal isozyme involved in tacrine metabolism. The major metabolite, 1-hydroxy-tacrine (velnacrine), has central cholinergic activity.
Absorption Tacrine is rapidly absorbed. Absolute bioavailability of tacrine is approximately 17%.
Half Life 2 to 4 hours
Protein Binding 55%
Distribution * 349 ± 193 L
References
Qizilbash N, Whitehead A, Higgins J, Wilcock G, Schneider L, Farlow M: Cholinesterase inhibition for Alzheimer disease: a meta-analysis of the tacrine trials. Dementia Trialists' Collaboration. JAMA. 1998 Nov 25;280(20):1777-82. [Pubmed]
Hansen RA, Gartlehner G, Kaufer DJ, Lohr KN, Carey T: [Pubmed]
External Links
Wikipedia
RxList
Drugs.com

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Hansen RA, Gartlehner G, Kaufer DJ, Lohr KN, Carey T: Pubmed
  • Qizilbash N, Whitehead A, Higgins J, Wilcock G, Schneider L, Farlow M: Cholinesterase inhibition for Alzheimer disease: a meta-analysis of the tacrine trials. Dementia Trialists' Collaboration. JAMA. 1998 Nov 25;280(20):1777-82. Pubmed
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专利

专利

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