计算溶液所需的质量、体积或浓度。
| 活性类型 | 活性值-log(M) | 作用机制 | 期刊 | 参考文献(PubMed IDs) |
|---|
有货
为什么选择此级别
Moligand™ 级 提供 ≥98%(HPLC) 纯度，适用于对基线干扰要求严格的色谱和分析工作流程。
储存与运输
2-8°C储存。低温运输 。请查阅批次 COA 获取详细规格。
质量文档
SDS、COA、产品数据表及规格说明书均可下载。可通过批号查询获取批次 COA。
文献证明
在色谱分析、有机合成和交叉偶联反应领域已被 32 篇同行评审文献引用。
概述
酮洛芬属于2-芳基丙酸类化合物。
用途
酮洛芬已被用于：
作为检测样品，通过色谱和显微技术分析长储存期的影响
作为非选择性COX抑制剂，在大鼠皮下注射，研究其对应激/盐酸甲基苯丙胺诱导的闭合蛋白、紧密连接蛋白-5和COX-2蛋白免疫反应性、β-营养不良聚糖的截短、脑水含量、以及异硫氰酸荧光素-葡聚糖外渗的变化的影响
在磷酸盐缓冲液中研究其抑制热诱导白蛋白变性的能力
Ketoprofen is a non-selective NSAID with IC50 of 0.5 μM and 2.33 μM for human recombinant COX-1 and COX-2, respectively.
An inhibitor of Cox-1 and Cox-2.
规格
别名
酮基布洛芬 | α-甲基-3-苯甲酰基苯乙酸 | 酮洛芬 | 2-(3-苯甲酰苯基)丙酸
英文别名
DTXSID6020771 | Iso-K | Ketoprofenum [INN-Latin] | Acide (benzoyl-3-phenyl)-2-propionique | KetoMed | KETOPROFEN [JAN] | L'Acide (benzoyl-3-phenyl)-2-propionique | R.P. 19583 | NSC 758144 | Toprek | Alrheumat | Propionic acid, 2-(3-benzoylphenyl)- | rac K
规格或纯度
Moligand™, ≥98%(HPLC)
英文名称
Ketoprofen
生化机理
酮洛芬是一种非选择性非甾体抗炎药，可抑制人类重组 Cox-1（IC50 为 0.5 μM）和 Cox-2（IC50 为 2.33 μM）。酮洛芬可逆性地抑制 Cox-1 和 Cox-2（环氧化酶-1 和-2）酶，从而减少促炎性前列腺素前体的产生，具有解热、镇痛和抗炎作用。非选择性 COX 抑制剂。在体内和体外均有活性。
储存条件
2-8°C储存
运输条件
低温运输
作用类型
抑制剂
作用机制
环氧化酶抑制剂
备注
如果有可能，您尽量在使用的当天配置溶液，并在当天使用完它。但是，如果您需要预先配制储备溶液，我们建议您将溶液等份保存在-20°C的密封小瓶中。通常，它们最多可以使用一个月。在使用前和打开样品瓶之前，我们建议您让您的产品在室温下平衡至少1小时。有毒，请参阅SDS以获取更多信息。需要更多关于溶解度，用法和处理的建议吗？请访问我们的常见问题（FAQ）页面以获取更多详细信息。
纯度
≥98%(HPLC)
名称和识别符
PubChem SID
EC号
244-759-8
分子类型
小分子
IUPAC Name
2-(3-benzoylphenyl)propanoic acid
INCHI
1S/C16H14O3/c1-11(16(18)19)13-8-5-9-14(10-13)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChi Key
DKYWVDODHFEZIM-UHFFFAOYSA-N
Smiles
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
Isomeric SMILES
CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
分子量
254.28
Reaxy-Rn
2216071
Reaxys-RN link address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2216071&ln=
技术文档
高级数据
系统学分类
分类树（Taxonomy Tree）
| 界（kingdom) | 有机化合物 |
|---|---|
| 超类（Superclass) | 苯类化合物 |
| 类（Class) | 苯及其取代衍生物 |
| 亚类（Subclass） | 二苯甲酮 |
| 中间层级节点（Intermediate Tree Nodes） | 暂无 |
| 直接上位类(Direct Parent) | 二苯甲酮 |
| 其他上位类（Alternative Parents） | 二苯甲烷 芳基苯基酮 苯丙酸 苯甲酰衍生物 一元羧酸及其衍生物 羧酸 有机氧化物 碳氢化合物衍生物 |
| 分子骨架（Molecular Framework) | 芳香族同单环化合物 |
| 取代基（Substituents） | 2-苯基丙酸 - 芳香族同单环化合物 - 芳基溴化物 - 芳基苯基酮 - 苯甲酮 - 苯甲酰 - 羰基 - 羧酰胺基 - 羧酸衍生物 - 二苯基甲烷 - 烃衍生物 - 酮 - 单羧酸或其衍生物 - 有机氧化物 - 有机氧化合物 - 有机氧化合物 |
| 描述（Description） | 该化合物属于苯甲酮类有机化合物。这类化合物含有连接两个苯基的酮基团。 |
| 外部描述符（External Descriptors） | benzophenones - oxo monocarboxylic acid |
三维结构
交互式化学结构模型
产品属性
| ALogP | 3.1 |
|---|
关联靶点（人）
SLC5A8
Tchem
钠偶联单羧酸转运体 1(Sodium-coupled monocarboxylate transporter 1)
(1 活性数据)
PTGS1
Tclin
前列腺素 G/H 合酶 1(Prostaglandin G/H synthase 1)
(4 活性数据)
PTGS2
Tclin
前列腺素 G/H 合酶 2(Prostaglandin G/H synthase 2)
(5 活性数据)
PDE5A
Tclin
Phosphodiesterase 5A
(5113 活性数据)
EGFR
Tclin
Epidermal growth factor receptor erbB1
(33727 活性数据)
CA2
Tclin
Carbonic anhydrase II
(17698 活性数据)
ESR1
Tclin
Estrogen receptor alpha
(17718 活性数据)
HMGCR
Tclin
HMG-CoA reductase
(2475 活性数据)
NR3C1
Tclin
Glucocorticoid receptor
(14987 活性数据)
INSR
Tclin
Insulin receptor
(5558 活性数据)
PGR
Tclin
Progesterone receptor
(8562 活性数据)
ADRB2
Tclin
Beta-2 adrenergic receptor
(11824 活性数据)
CHRM2
Tclin
Muscarinic acetylcholine receptor M2
(10671 活性数据)
ADRB1
Tclin
Beta-1 adrenergic receptor
(6630 活性数据)
HTR1A
Tclin
Serotonin 1a (5-HT1a) receptor
(14969 活性数据)
ADRA2A
Tclin
Alpha-2a adrenergic receptor
(9450 活性数据)
ALOX5
Tclin
Arachidonate 5-lipoxygenase
(6568 活性数据)
AR
Tclin
Androgen Receptor
(11781 活性数据)
CHRM1
Tclin
Muscarinic acetylcholine receptor M1
(12690 活性数据)
ACE
Tclin
Angiotensin-converting enzyme
(1423 活性数据)
DRD2
Tclin
Dopamine D2 receptor
(23596 活性数据)
GABRA1
Tclin
GABA receptor alpha-1 subunit
(399 活性数据)
MAOA
Tclin
Monoamine oxidase A
(11911 活性数据)
CNR1
Tclin
Cannabinoid CB1 receptor
(20913 活性数据)
DRD1
Tclin
Dopamine D1 receptor
(9720 活性数据)
DRD4
Tchem
Dopamine D4 receptor
(7907 活性数据)
ACHE
Tclin
Acetylcholinesterase
(18204 活性数据)
PTGS1
Tclin
Cyclooxygenase-1
(9233 活性数据)
SLC6A2
Tclin
Norepinephrine transporter
(10102 活性数据)
HRH2
Tclin
Histamine H2 receptor
(5428 活性数据)
ADRA1D
Tclin
Alpha-1d adrenergic receptor
(4171 活性数据)
HTR1B
Tclin
Serotonin 1b (5-HT1b) receptor
(2801 活性数据)
HTR2A
Tclin
Serotonin 2a (5-HT2a) receptor
(14758 活性数据)
HTR2C
Tclin
Serotonin 2c (5-HT2c) receptor
(11471 活性数据)
AVPR2
Tclin
Vasopressin V2 receptor
(2912 活性数据)
ADORA1
Tclin
Adenosine A1 receptor
(17603 活性数据)
AGTR1
Tclin
Type-1 angiotensin II receptor
(5176 活性数据)
CALCR
Tclin
Calcitonin receptor
(2215 活性数据)
SLC6A4
Tclin
Serotonin transporter
(12625 活性数据)
ADRA1A
Tclin
Alpha-1a adrenergic receptor
(8359 活性数据)
PTGS2
Tclin
Cyclooxygenase-2
(13999 活性数据)
HRH1
Tclin
Histamine H1 receptor
(7573 活性数据)
ADRA1B
Tclin
Alpha-1b adrenergic receptor
(2912 活性数据)
OPRM1
Tclin
Mu opioid receptor
(19785 活性数据)
DRD3
Tclin
Dopamine D3 receptor
(14368 活性数据)
AVPR1A
Tclin
Vasopressin V1a receptor
(5412 活性数据)
OPRD1
Tclin
Delta opioid receptor
(15096 活性数据)
OPRK1
Tclin
Kappa opioid receptor
(16155 活性数据)
HTR3A
Tclin
Serotonin 3a (5-HT3a) receptor
(3366 活性数据)
SLC6A3
Tclin
Dopamine transporter
(10535 活性数据)
GRIN1
Tclin
Glutamate (NMDA) receptor subunit zeta 1
(122 活性数据)
KCNH2
Tclin
HERG
(29587 活性数据)
HTR4
Tclin
Serotonin 4 (5-HT4) receptor
(2068 活性数据)
关联靶点（其它种属）
Agtr2
Angiotensin II type 2 (AT-2) receptor (803 活性数据)
ampC
Beta-lactamase AmpC (62480 活性数据)
Mc4r
Melanocortin receptor 4 (1205 活性数据)
Ltc4s
Leukotriene C4 synthase (1 活性数据)
Glo1
Glyoxalase I (4 活性数据)
Sigmar1
Sigma opioid receptor (160 活性数据)
Npy1r
Neuropeptide Y receptor type 1 (8 活性数据)
PTGES
Prostaglandin E synthase (10 活性数据)
Cckar
Cholecystokinin A receptor (90 活性数据)
Pde4d
Phosphodiesterase 4D (4 活性数据)
Nos2
Nitric oxide synthase, inducible (3573 活性数据)
Mapk1
MAP kinase ERK2 (650 活性数据)
Hdac6
Histone deacetylase 6 (222 活性数据)
Mmp9
Matrix metalloproteinase 9 (38 活性数据)
Pseudomonas aeruginosa (123386 活性数据)
Klebsiella pneumoniae (43867 活性数据)
Staphylococcus aureus (210822 活性数据)
Acinetobacter baumannii (41033 活性数据)
Escherichia coli (133304 活性数据)
Pneumocystis carinii (749 活性数据)
Leishmania infantum (5912 活性数据)
Trypanosoma brucei (78846 活性数据)
Trypanosoma brucei brucei (13300 活性数据)
Entamoeba histolytica (2676 活性数据)
Cryptosporidium parvum (1150 活性数据)
Plasmodium falciparum (966862 活性数据)
Cryptococcus neoformans (21258 活性数据)
Candida albicans (78123 活性数据)
Leishmania amazonensis (3813 活性数据)
Leishmania donovani (89745 活性数据)
Leishmania major (2877 活性数据)
Leishmania mexicana (936 活性数据)
Trypanosoma cruzi (99888 活性数据)
Trichomonas vaginalis (2376 活性数据)
Toxoplasma gondii (4585 活性数据)
Human alphaherpesvirus 2 (4932 活性数据)
Human respirovirus 3 (1674 活性数据)
Mus musculus (284745 活性数据)
Rattus norvegicus (775804 活性数据)
Vaccinia virus (4609 活性数据)
Human alphaherpesvirus 1 (11089 活性数据)
Sindbis virus (1599 活性数据)
Vesicular stomatitis virus (4460 活性数据)
Influenza A virus (11224 活性数据)
Punta Toro virus (1491 活性数据)
Coxsackievirus B4 (2249 活性数据)
Respiratory syncytial virus (3434 活性数据)
Trypanosoma brucei rhodesiense (7991 活性数据)
MDCK (10148 活性数据)
LOX1.1
Seed lipoxygenase-1 (463 活性数据)
作用机制
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
化学和物理性质
溶解性
Soluble in ethanol (51 mg/ml at 25 °C), DMSO (51 mg/ml at 25 °C), water (<1 mg/ml at 25 °C), DMF (≥20 mg/ml), and PBS (pH 7.2) (≥0.5 mg/ml).
敏感性
对光敏感
熔点
92-97°
分子量
254.280 g/mol
XLogP3
3.100
氢键供体数Hydrogen Bond Donor Count
1
氢键受体数Hydrogen Bond Acceptor Count
3
可旋转键计数Rotatable Bond Count
4
精确质量Exact Mass
254.094 Da
单同位素质量Monoisotopic Mass
254.094 Da
拓扑极表面积Topological Polar Surface Area
54.400 Ų
重原子数Heavy Atom Count
19
形式电荷Formal Charge
0
复杂度Complexity
331.000
同位素原子数Isotope Atom Count
0
定义的原子立体中心计数Defined Atom Stereocenter Count
0
未定义的原子立体中心计数Undefined Atom Stereocenter Count
1
定义的键立体中心计数Defined Bond Stereocenter Count
0
未定义的键立体中心计数Undefined Bond Stereocenter Count
0
所有立体化学键的总数The total count of all stereochemical bonds
0
共价键合单元计数Covalently-Bonded Unit Count
1
安全和危险性（GHS）
信号词
危险
危险声明
H301: 吞咽会中毒
H315: 引起皮肤刺激
H319: 引起严重眼睛刺激
H335: 可能引起呼吸道刺激
预防措施声明
P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾
P264: 处理后要彻底洗手。
P270: 使用本产品时，请勿进食、饮水或吸烟。
P271: 仅在室外或通风良好的地方使用。
P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。
P321: 特殊处理（请参阅此标签上的...）。
P330: 漱口
P302+P352: 如皮肤沾染：用水充分清洗。
P304+P340: 如误吸入：将人转移到空气新鲜处，保持呼吸舒适体位。
P305+P351+P338: 如进入眼睛：用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出，取出隐形眼镜。继续冲洗。
P362+P364: 脱掉沾污的衣服，清洗后方可重新使用。
P405: 密闭存放
P403+P233: 存放在通风良好的地方。保持容器密闭。
P501: 将内容物/容器处理到。。。
P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。
P301+P316: 如果吞咽：立即寻求紧急医疗救助。
P337+P317: 如果眼睛刺激持续：寻求医疗帮助。
P332+P317: 如果出现皮肤刺激：请寻求医疗帮助。
P319: 如果你感到不适，请寻求医疗帮助。
WGK Germany
3
RTECS
UE7570000
Merck Index
5305
个人防护装备
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
质检证书（CoA,COO,BSE/TSE 和分析图谱)
C of A & Other Certificates(BSE/TSE, COO):
输入批号以搜索分析图谱:
通过匹配包装上的批号来查找并下载产品的 COA，每批产品都进行了严格的验证，您可放心使用！
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技术文档和文章
此产品的引用文献
引用文献
| 1. Lianxu Wang, Zhen Lei, Sining Yun, Xiaohuan Yang, Rong Chen. (2023) Quantitative structure-biotransformation relationships of organic micropollutants in aerobic and anaerobic wastewater treatments. SCIENCE OF THE TOTAL ENVIRONMENT, [PMID:38072270] [10.1016/j.scitotenv.2023.169170] |
| 2. Gilbert Audira, Jong-Chin Huang, Kelvin H.-C. Chen, Kevin Adi Kurnia, Ross D. Vasquez, Marri Jmelou M. Roldan, Yu-Heng Lai, Chung-Der Hsiao, Cheng-Yo Yen. (2023) A comprehensive painkillers screening by assessing zebrafish behaviors after caudal fin amputation. BIOMEDICINE & PHARMACOTHERAPY, [PMID:37806085] [10.1016/j.biopha.2023.115641] |
| 3. Mei Zhang, Yizhong Yuan, Jie Jin, Jinyu Sun, Xiaohui Tian. (2023) Polyvinyl alcohol composite hydrogels/epoxidized natural rubber composites (CMCS/PVA/CS-ENR) with core-shell structure as biomass coating material for slow-release nitrogen fertilizer. PROGRESS IN ORGANIC COATINGS, [10.1016/j.porgcoat.2023.107744] |
| 4. Pengzhao Han, Kai Hu, Yuanpeng Wang, Lixin Li, Pan Wang, Weixia Zhu, Haiyan Gong, Zhenqiang Zhang, Shusheng Zhang. (2022) Dispersive solid-phase extraction of non-steroidal anti-inflammatory drugs in water and urine samples using a magnetic ionic liquid hypercrosslinked polymer composite. JOURNAL OF CHROMATOGRAPHY A, [PMID:36586287] [10.1016/j.chroma.2022.463745] |
| 5. Hao-Ze Li, Cheng Yang, Hai-Long Qian, Xiu-Ping Yan. (2022) Room-temperature synthesis of ionic covalent organic frameworks for efficient removal of diclofenac sodium from aqueous solution. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2022.122704] |
| 6. Jinbo Ouyang, Jian Chen, Wenqian Chen, Limin Zhou, Di Cai, Cong Ren. (2022) H3PO4 activated biochars derived from different agricultural biomasses for the removal of ciprofloxacin from aqueous solution. Particuology, [10.1016/j.partic.2022.07.016] |
| 7. Yuemei Cen, Haihang Wang, Ping Wen, Genying Xu, Feng Tian, Fenggang Bian, Xiangqiong Zeng. (2022) The development of an artificial skin membrane mimicking the lipid bilayer structure for in vitro permeation study. COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS, [10.1016/j.colsurfa.2022.128609] |
| 8. Lixiao Wang, Yajie Zheng, Yiran Zhou, Junhe Lu, Jean-Marc Chovelon, Yuefei Ji. (2021) Aquatic photolysis of ketoprofen generates products with photosensitizing activity and toxicity. WATER RESEARCH, [PMID:34954366] [10.1016/j.watres.2021.117982] |
| 9. Jian Chen, Jinbo Ouyang, Wenqian Chen, Zepeng Zheng, Zhen Yang, Zhirong Liu, Limin Zhou. (2021) Fabrication and adsorption mechanism of chitosan/Zr-MOF (UiO-66) composite foams for efficient removal of ketoprofen from aqueous solution. CHEMICAL ENGINEERING JOURNAL, [10.1016/j.cej.2021.134045] |
| 10. Ying Lu, Fujian Yang, Siyuan Chen, Wenchao Shi, Chengdu Qi, Guilong Peng. (2021) Decomplexation of Ni(II)-citrate and recovery of nickel from chelated nickel containing electroplating wastewater by peroxymonosulfate with nickel. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2021.120142] |
| 11. Jian Chen, Jinbo Ouyang, Weixin Lai, Xiaohong Xing, Limin Zhou, Zhirong Liu, Wenqian Chen, Di Cai. (2021) Synthesis of ultralight chitosan/activated biochar composite aerogel globules for ketoprofen removal from aqueous solution. SEPARATION AND PURIFICATION TECHNOLOGY, [10.1016/j.seppur.2021.119700] |
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