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23981-80-8 分子结构
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2-(6-methoxynaphthalen-2-yl)propanoic acid

ChemBase编号:667
分子式:C14H14O3
平均质量:230.25916
单一同位素质量:230.09429431
SMILES和InChIs

SMILES:
O(c1cc2c(cc(C(C)C(=O)O)cc2)cc1)C
Canonical SMILES:
COc1ccc2c(c1)ccc(c2)C(C(=O)O)C
InChI:
InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)
InChIKey:
CMWTZPSULFXXJA-UHFFFAOYSA-N

引用这个纪录

CBID:667 http://www.chembase.cn/molecule-667.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-methoxynaphthalen-2-yl)propanoic acid
IUPAC传统名
naprosyn
商标名
Aleve
Anaprox
Bonyl
DL Naproxen
DL-Naproxen
Diocodal
Dysmenalgit
Ec-naprosyn
Equiproxen
Floginax
Laraflex
Laser
Mnpa
Naixan
Naprelan
Napren
Naprium
Naprius
Naprosine
Naprosyn
Naprosyne
Naproxen Sodium
Naprux
Naxen
Naxyn
Niaxan
Nycopren
Panoxen
Pranoxen
Prexan
Proxen
Proxine
Reuxen
Veradol
Xenar
别名
S(+)-6-methoxy-α-methyl-2-naphthaleneacetic acid)
(RS)-Naproxen
(+/-)-2-(6-Methoxy-2-naphthalenyl)propionic Acid
(+/-)-2-(6-Methoxy-2-naphthyl)propionic Acid
(+/-)-6-Methoxy-α-methyl-2-naphthaleneacetic Acid
(+/-)-Naproxen
2-(6-Methoxy-2-naphthyl)propanoic Acid
dl-Naproxen
rac-Naproxen
(RS)-Naproxen-d3
(+/-)-2-(6-Methoxy-2-naphthalenyl)propionic Acid-d3
(+/-)-2-(6-Methoxy-2-naphthyl)propionic Acid-d3
(+/-)-6-Methoxy-α-(methyl-d3)-2-naphthaleneacetic Acid
(+/-)-Naproxen-d3
2-(6-Methoxy-2-naphthyl)propanoic Acid-d3
Naproxen
2-(6-Methoxynaphthalen-2-yl)propanoic acid
[S(+)-2-(6-Methoxy-2-naphthyl)propionic acid]
(+)-2-(6-methoxy-2-naphthyl)-propionic acid
dl-Naproxen-d3
rac Naproxen-d3
CAS号
23981-80-8
22204-53-1
EC号
244-838-7
MDL号
MFCD00439456
PubChem SID
160964130
PubChem CID
1302

理论计算性质

理论计算性质

JChem ALOGPS 2.1
Acid pKa 4.1903534  质子受体
质子供体 LogD (pH = 5.5) 1.6579665 
LogD (pH = 7.4) -0.054211214  Log P 2.985786 
摩尔折射率 64.8535 cm3 极化性 26.3861 Å3
极化表面积 46.53 Å2 可自由旋转的化学键
里宾斯基五规则 true 
Log P 3.29  LOG S -3.65 
溶解度 5.11e-02 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
15.9 mg/L expand 查看数据来源
Chloroform expand 查看数据来源
Methanol expand 查看数据来源
外观
Off-White Solid expand 查看数据来源
White Solid expand 查看数据来源
熔点
154-154°C expand 查看数据来源
156-157°C expand 查看数据来源
157-158°C expand 查看数据来源
疏水性(logP)
2.8 expand 查看数据来源
保存条件
-20°C Freezer expand 查看数据来源
Refrigerator expand 查看数据来源
Room Temperature (15-30°C) expand 查看数据来源
RTECS编号
UF5275000 expand 查看数据来源
欧盟危险性物质标志
有害性(Harmful) 有害性(Harmful) (Xn) 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:22-36/37/38 expand 查看数据来源
安全公开号
S:25-26-36/37/39 expand 查看数据来源
纯度
95+% expand 查看数据来源
97% expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank TRC TRC MP Biomedicals MP Biomedicals
DrugBank -  DB00788 external link
Item Information
Drug Groups approved
Description An anti-inflammatory agent with analgesic and antipyretic properties. Both the acid and its sodium salt are used in the treatment of rheumatoid arthritis and other rheumatic or musculoskeletal disorders, dysmenorrhea, and acute gout. [PubChem]
Indication For the treatment of rheumatoid arthritis, osteoarthritis, ankylosing spondylitis, tendinitis, bursitis, and acute gout. Also for the relief of mild to moderate pain and the treatment of primary dysmenorrhea.
Pharmacology Naproxen is a member of the arylacetic acid group of nonsteroidal anti-inflammatory drugs (NSAIDs). Naproxen has analgesic and antipyretic properties. As with other NSAIDs, its mode of action is not fully understood; however, its ability to inhibit prostaglandin synthesis may be involved in the anti-inflammatory effect.
Toxicity ORAL (LD50): Acute: 248 mg/kg [Rat]. 360 mg/kg [Mouse]. Symptoms of overdose include drowsiness, heartburn, indigestion, nausea, and vomiting.
Affected Organisms
Humans and other mammals
Biotransformation Naproxen is extensively metabolized to 6-0-desmethyl naproxen and both parent and metabolites do not induce metabolizing enzymes.
Absorption Naproxen itself is rapidly and completely absorbed from the GI tract with an in vivo bioavailability of 95%. Although naproxen itself is well absorbed, the sodium salt form is more rapidly absorbed resulting in higher peak plasma levels for a given dose. Food causes a slight decrease in the rate absorption.
Half Life The observed terminal elimination half-life is approximately 15 hours.
Protein Binding At therapeutic levels naproxen is greater than 99% albumin-bound.
References
Kearney PM, Baigent C, Godwin J, Halls H, Emberson JR, Patrono C: Do selective cyclo-oxygenase-2 inhibitors and traditional non-steroidal anti-inflammatory drugs increase the risk of atherothrombosis? Meta-analysis of randomised trials. BMJ. 2006 Jun 3;332(7553):1302-8. [Pubmed]
Zhang J, Ding EL, Song Y: Adverse effects of cyclooxygenase 2 inhibitors on renal and arrhythmia events: meta-analysis of randomized trials. JAMA. 2006 Oct 4;296(13):1619-32. Epub 2006 Sep 12. [Pubmed]
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
Toronto Research Chemicals -  N377527 external link
Labelled Naproxen. An anti-inflammatory, analgesic, antipyretic. A non-steroidal anti-inflammatory.
Toronto Research Chemicals -  N377526 external link
An anti-inflammatory, analgesic, antipyretic. A non-steroidal anti-inflammatory.
MP Biomedicals -  02190247 external link
Pharmacological agent that reportedly may show activity through ability to inhibit prostaglandin biosynthesis.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Tomlinson, et al., Biochem. Biophys. Res. Commun. , 46 : 552 (1972).
  • Kearney PM, Baigent C, Godwin J, Halls H, Emberson JR, Patrono C: Do selective cyclo-oxygenase-2 inhibitors and traditional non-steroidal anti-inflammatory drugs increase the risk of atherothrombosis? Meta-analysis of randomised trials. BMJ. 2006 Jun 3;332(7553):1302-8. Pubmed
  • Zhang J, Ding EL, Song Y: Adverse effects of cyclooxygenase 2 inhibitors on renal and arrhythmia events: meta-analysis of randomized trials. JAMA. 2006 Oct 4;296(13):1619-32. Epub 2006 Sep 12. Pubmed
  • Harrison, I.T., et al.: J. Med. Chem., 13, 203 (1970)
  • Harrison, I.T., et al.: J. Med. Chem., 13, 203 (1970)
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专利

专利

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