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) |
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货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
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M335879-50mg |
50mg |
现货 ![]() |
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M335879-250mg |
250mg |
现货 ![]() |
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M335879-1g |
1g |
现货 ![]() |
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英文别名 | 1-[(1-methylethyl)amino]-3-({4-[2-(methyloxy)ethyl]phenyl}oxy)propan-2-ol | 1-(4-(2-methoxyethyl)phenoxy)-3-(propan-2-ylamino)propan-2-ol | CS-3159 | metoprolol | METOPROLOL [USAN] | {2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl}(propan-2-yl)amine | AB00 |
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规格或纯度 | Moligand™, ≥97% |
英文名称 | Metoprolol |
储存温度 | 2-8°C储存,避光 |
运输条件 | 冰袋运输 |
作用类型 | 拮抗剂 |
作用机制 | β 1-肾上腺素受体拮抗剂;β 2-肾上腺素受体拮抗剂 |
产品介绍 |
Metoprolol (Toprol)是β1受体选择性阻断剂。 1-[4-(2-methoxyethyl)phenoxy]-3-propan-2-ylamino-propan-2-ol is an inhibitor of β1-AR. |
pKa值 | pKa: 13.89 (Predicted), pKa: 9.43 (Predicted) |
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Ki Data | beta1-AR: Ki= 102 nM (human); beta2-AR: Ki= 1769 nM (human); P-glycoprotein 1: Ki= 200 μM (human) |
IC50 | beta1-AR: IC₅₀= 176 nM (human); beta1-AR: IC₅₀= 190 nM (Cavia porcellus); beta2-AR: IC₅₀= 2573 nM (human); HEK293: EC5050 = 2994 nM (human); NPY1-R: EC5050 = 9606 nM (human) |
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作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
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PubChem SID | 504750756 |
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分子类型 | 小分子 |
IUPAC Name | 1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol |
INCHI | InChI=1S/C15H25NO3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3/h4-7,12,14,16-17H,8-11H2,1-3H3 |
InChi Key | IUBSYMUCCVWXPE-UHFFFAOYSA-N |
Canonical SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O |
Isomeric SMILES | CC(C)NCC(COC1=CC=C(C=C1)CCOC)O |
PubChem CID | 4171 |
分子量 | 267.37 |
溶解性 | Soluble in water, and DMF. |
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密度 | ~1.0 g/cm3(Predicted) |
敏感性 | 对光敏感 |
折光率 | n20D1.51 (Predicted) |
沸点 | ~398.6° C at 760 mmHg (Predicted) |
熔点 | 116.15° C (Predicted) |
分子量 | 267.360 g/mol |
XLogP3 | 1.900 |
氢键供体数Hydrogen Bond Donor Count | 2 |
氢键受体数Hydrogen Bond Acceptor Count | 4 |
可旋转键计数Rotatable Bond Count | 9 |
精确质量Exact Mass | 267.183 Da |
单同位素质量Monoisotopic Mass | 267.183 Da |
拓扑极表面积Topological Polar Surface Area | 50.700 Ų |
重原子数Heavy Atom Count | 19 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 215.000 |
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 |
象形图 | GHS07 |
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信号词 | Warning |
危险声明 |
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 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。 P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。 P302+P352: 如皮肤沾染:用水充分清洗。 P321: 特殊处理(请参阅此标签上的...)。 P405: 密闭存放 P501: 将内容物/容器处理到。。。 P264: 处理后要彻底洗手。 P271: 仅在室外或通风良好的地方使用。 P304+P340: 如误吸入:将人转移到空气新鲜处,保持呼吸舒适体位。 P403+P233: 存放在通风良好的地方。保持容器密闭。 P362+P364: 脱掉沾污的衣服,清洗后方可重新使用。 P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。 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。 |
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批号(Lot Number) | 证书类型 | 日期 | 货号 |
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分析证书 | 24-10-09 | M335879 |
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分析证书 | 24-10-09 | M335879 |
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分析证书 | 24-10-09 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-06-28 | M335879 |
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分析证书 | 23-03-14 | M335879 |
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分析证书 | 22-04-02 | M335879 |
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分析证书 | 22-04-02 | M335879 |
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分析证书 | 22-04-02 | M335879 |
¥3,999.90
¥799.90
1. Huijiao Wang, Lingwei Gao, Yuxin Xie, Gang Yu, Yujue Wang. (2023) Clarification of the role of singlet oxygen for pollutant abatement during persulfate-based advanced oxidation processes: Co3O4@CNTs activated peroxymonosulfate as an example. WATER RESEARCH, 244 (120480). [PMID:37598568] [10.1016/j.watres.2023.120480] |
2. Yinqiao Zhang, Yang Guo, Jingyun Fang, Kaiheng Guo, Gang Yu, Yujue Wang. (2023) Characterization of UV/chlorine process for micropollutant abatement by probe compound-based kinetic models. WATER RESEARCH, 237 (119985). [PMID:37098285] [10.1016/j.watres.2023.119985] |
3. Zhe Wang, Qing-qing Li, Cheng-ke Huang, Yan-yan Dong, Li-ping Lang, Wei Sun, Jian-chang Qian, Xiao-dan Zhang. (2023) Determination of CYP450 activities in diabetes mellitus rats by a UHPLC-MS/MS method. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 224 (115191). [PMID:36512868] [10.1016/j.jpba.2022.115191] |
4. Sixing Dai, Lei Xiao, Qinliu Li, Gazi Hao, Yubing Hu, Wei Jiang. (2022) 0D/1D Co3O4 quantum dots/surface hydroxylated g-C3N4 nanofibers heterojunction with enhanced photocatalytic removal of pharmaceuticals and personal care products. SEPARATION AND PURIFICATION TECHNOLOGY, 297 (121481). [10.1016/j.seppur.2022.121481] |
5. Sixing Dai, Yue Wang, Lei Xiao, Gazi Hao, Yubing Hu, Guangpu Zhang, Wei Jiang. (2022) 2D/2D/2D CuO-MXene-OCN heterojunction with enhanced photocatalytic removal of pharmaceuticals and personal care products: Characterization, efficiency and mechanism. JOURNAL OF ALLOYS AND COMPOUNDS, 919 (165873). [10.1016/j.jallcom.2022.165873] |
6. Long Jiang, Tao Jing, Xiantao Shen. (2022) Molecularly imprinted wax. Journal of Materials Chemistry B, 10 (35): (6742-6751). [PMID:35377383] [10.1039/D2TB00040G] |
7. Yinqiao Zhang, Huijiao Wang, Yang Li, Bin Wang, Jun Huang, Shubo Deng, Gang Yu, Yujue Wang. (2020) Removal of micropollutants by an electrochemically driven UV/chlorine process for decentralized water treatment. WATER RESEARCH, 183 (116115). [PMID:32652347] [10.1016/j.watres.2020.116115] |
8. Xue Ren, Man He, Beibei Chen, Bin Hu. (2020) Magnetic porous organic polymers for extraction of cardiovascular drugs in human urine samples followed by HPLC-UV. Analytical Methods, 12 (2): (141-148). [10.1039/C9AY02041A] |
9. Yi Xiao, Linru Xu, Ping Li, Xiao-Chong Tang, Lian-Wen Qi. (2017) A simple microdroplet chip consisting of silica nanochannel-assisted electrode and paper cover for highly sensitive electrochemiluminescent detection of drugs in human serum. ANALYTICA CHIMICA ACTA, 983 (96). [PMID:28811034] [10.1016/j.aca.2017.06.014] |
10. Wenying Fan, Man He, Linna You, Xuewei Zhu, Beibei Chen, Bin Hu. (2016) Water-compatible graphene oxide/molecularly imprinted polymer coated stir bar sorptive extraction of propranolol from urine samples followed by high performance liquid chromatography-ultraviolet detection. JOURNAL OF CHROMATOGRAPHY A, 1443 (1). [PMID:26993782] [10.1016/j.chroma.2016.03.017] |
1. Huijiao Wang, Lingwei Gao, Yuxin Xie, Gang Yu, Yujue Wang. (2023) Clarification of the role of singlet oxygen for pollutant abatement during persulfate-based advanced oxidation processes: Co3O4@CNTs activated peroxymonosulfate as an example. WATER RESEARCH, 244 (120480). [PMID:37598568] [10.1016/j.watres.2023.120480] |
2. Yinqiao Zhang, Yang Guo, Jingyun Fang, Kaiheng Guo, Gang Yu, Yujue Wang. (2023) Characterization of UV/chlorine process for micropollutant abatement by probe compound-based kinetic models. WATER RESEARCH, 237 (119985). [PMID:37098285] [10.1016/j.watres.2023.119985] |
3. Zhe Wang, Qing-qing Li, Cheng-ke Huang, Yan-yan Dong, Li-ping Lang, Wei Sun, Jian-chang Qian, Xiao-dan Zhang. (2023) Determination of CYP450 activities in diabetes mellitus rats by a UHPLC-MS/MS method. JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 224 (115191). [PMID:36512868] [10.1016/j.jpba.2022.115191] |
4. Sixing Dai, Lei Xiao, Qinliu Li, Gazi Hao, Yubing Hu, Wei Jiang. (2022) 0D/1D Co3O4 quantum dots/surface hydroxylated g-C3N4 nanofibers heterojunction with enhanced photocatalytic removal of pharmaceuticals and personal care products. SEPARATION AND PURIFICATION TECHNOLOGY, 297 (121481). [10.1016/j.seppur.2022.121481] |
5. Sixing Dai, Yue Wang, Lei Xiao, Gazi Hao, Yubing Hu, Guangpu Zhang, Wei Jiang. (2022) 2D/2D/2D CuO-MXene-OCN heterojunction with enhanced photocatalytic removal of pharmaceuticals and personal care products: Characterization, efficiency and mechanism. JOURNAL OF ALLOYS AND COMPOUNDS, 919 (165873). [10.1016/j.jallcom.2022.165873] |
6. Long Jiang, Tao Jing, Xiantao Shen. (2022) Molecularly imprinted wax. Journal of Materials Chemistry B, 10 (35): (6742-6751). [PMID:35377383] [10.1039/D2TB00040G] |
7. Yinqiao Zhang, Huijiao Wang, Yang Li, Bin Wang, Jun Huang, Shubo Deng, Gang Yu, Yujue Wang. (2020) Removal of micropollutants by an electrochemically driven UV/chlorine process for decentralized water treatment. WATER RESEARCH, 183 (116115). [PMID:32652347] [10.1016/j.watres.2020.116115] |
8. Xue Ren, Man He, Beibei Chen, Bin Hu. (2020) Magnetic porous organic polymers for extraction of cardiovascular drugs in human urine samples followed by HPLC-UV. Analytical Methods, 12 (2): (141-148). [10.1039/C9AY02041A] |
9. Yi Xiao, Linru Xu, Ping Li, Xiao-Chong Tang, Lian-Wen Qi. (2017) A simple microdroplet chip consisting of silica nanochannel-assisted electrode and paper cover for highly sensitive electrochemiluminescent detection of drugs in human serum. ANALYTICA CHIMICA ACTA, 983 (96). [PMID:28811034] [10.1016/j.aca.2017.06.014] |
10. Wenying Fan, Man He, Linna You, Xuewei Zhu, Beibei Chen, Bin Hu. (2016) Water-compatible graphene oxide/molecularly imprinted polymer coated stir bar sorptive extraction of propranolol from urine samples followed by high performance liquid chromatography-ultraviolet detection. JOURNAL OF CHROMATOGRAPHY A, 1443 (1). [PMID:26993782] [10.1016/j.chroma.2016.03.017] |