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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M420726-1ml |
1ml |
现货 ![]() |
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别名 | 3-[[[3-[(E)-2-(7-氯喹啉-2-基)乙烯基]苯基]-[3-(二甲氨基)-3-氧丙基]硫烷基甲基]硫烷基丙酸钠盐 |
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英文别名 | 3-[{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(2-diethylcarbamoyl-ethylsulfanyl)-methylsulfanyl]-propionic acid | Propanoic acid, 3-(((3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)((3-(dimethylamino)-3-oxopropyl)thio)methyl)thio)-, (E)- | 5-(3-(2-(7- |
规格或纯度 | Moligand™, 10mM in DMSO |
英文名称 | MK 571 sodium salt (L 660711 sodium salt) |
生化机理 | 高效,选择性和竞争性CysLT 1受体拮抗剂(IC 50 = 1.5 nM,LTD 4)。强大的MRP1抑制剂。在体内显示出抗缺血,抗炎和镇痛作用。口服有效。 |
储存温度 | 避光,-80℃储存 |
运输条件 | 超低温冰袋运输 |
作用类型 | 拮抗剂 |
作用机制 | CysLT 1 受体拮抗剂 |
产品介绍 |
MK571 (L660711) 是一种具有口服活性的、选择性半胱氨酰白三烯受体CysLT1的拮抗剂。
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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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分子类型 | 小分子 |
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IUPAC Name | 3-[[3-[(E)-2-(7-chloroquinolin-2-yl)ethenyl]phenyl]-[3-(dimethylamino)-3-oxopropyl]sulfanylmethyl]sulfanylpropanoic acid |
INCHI | InChI=1S/C26H27ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-11,16-17,26H,12-15H2,1-2H3,(H,31,32)/b10-6+ |
InChi Key | AXUZQJFHDNNPFG-UXBLZVDNSA-N |
Canonical SMILES | CN(C)C(=O)CCSC(C1=CC=CC(=C1)C=CC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O |
Isomeric SMILES | CN(C)C(=O)CCSC(C1=CC=CC(=C1)/C=C/C2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O |
关联CAS | 115104-28-4 |
MeSH Entry Terms | (3-(3-(2-(7-chloro-2-quinolinyl)ethenyl)phenyl)((3-dimethylamino-3-oxopropyl)thio)methyl)thiopropanoic acid;L 660,711;L 660711;L-660711;MK 0571;MK 0679;MK 571;MK-0571;MK-0679;MK-571;MK-679;MK571 cpd;verlukast;verlukast, (R-(E))-isomer |
分子量 | 515.09 |
Reaxy-Rn | 24674053 |
Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24674053&ln= |
敏感性 | 对光敏感 |
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分子量 | 515.100 g/mol |
XLogP3 | 5.300 |
氢键供体数Hydrogen Bond Donor Count | 1 |
氢键受体数Hydrogen Bond Acceptor Count | 6 |
可旋转键计数Rotatable Bond Count | 11 |
精确质量Exact Mass | 514.115 Da |
单同位素质量Monoisotopic Mass | 514.115 Da |
拓扑极表面积Topological Polar Surface Area | 121.000 Ų |
重原子数Heavy Atom Count | 34 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 693.000 |
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 | 1 |
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 | 1 |
共价键合单元计数Covalently-Bonded Unit Count | 1 |
Reaxy-Rn | 24674053 |
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Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24674053&ln= |
Concentration | 9-11(mmol/L) |
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Proton NMR spectrum | Conforms to Structure |
1. Renjie Xu, Hongdan Zhu, Lingmin Hu, Beimeng Yu, Xiaohua Zhan, Yichu Yuan, Ping Zhou. (2020) Characterization of the intestinal absorption of morroniside from Cornus officinalis Sieb. et Zucc via a Caco-2 cell monolayer model. PLoS One, 15 (5): (e0227844). [PMID:32470043] [10.1371/journal.pone.0227844] |
2. Renjie Xu, Yichu Yuan, Jia Qi, Jia Zhou, Xiaowen Guo, Jian Zhang, Ruanjuan Zhan. (2018) Elucidation of the Intestinal Absorption Mechanism of Loganin in the Human Intestinal Caco-2 Cell Model. Evidence-based Complementary and Alternative Medicine, 2018 (8340563). [PMID:30671130] [10.1155/2018/8340563] |
3. Min Zhang, Ying Peng, Mengyue Wang, Beibei Gao, Lijuan Zhao, Xiaobo Li. (2019) The influence of compatibility of Si-Ni decoction with metabolism in intestinal bacteria on transports of toxic diterpenoid alkaloids from processed aconite root across Caco-2 monolayers. JOURNAL OF ETHNOPHARMACOLOGY, 228 (164). [PMID:30223050] [10.1016/j.jep.2018.09.022] |
4. Xu Renjie, Peng Ying, Wang Mengyue, Li Xiaobo. (2019) Intestinal Absorption of Isoalantolactone and Alantolactone, Two Sesquiterpene Lactones from Radix Inulae, Using Caco-2 Cells. EUROPEAN JOURNAL OF DRUG METABOLISM AND PHARMACOKINETICS, 44 (2): (295-303). [PMID:30209793] [10.1007/s13318-018-0510-x] |
5. Yanghui Chen, Yuan Li, Junliang Luo, Zixin Li, Yu Huang, Jia Cai, Dongneng Jiang, Defeng Zhang, Jichang Jian, Jun Qiang, Bei Wang. (2024) A novel study of brain microvascular endothelial cells induced by astrocyte conditioned medium for constructing blood brain barrier model in vitro: A promising tool for meningitis of teleost. FISH & SHELLFISH IMMUNOLOGY, 146 (109401). [PMID:38266792] [10.1016/j.fsi.2024.109401] |
6. Wang Aiping, Ning Jie, Zhao Lu, Xu Renjie. (2024) Lipid-lowering effect and oral transport characteristics study of curculigoside. Frontiers in Cardiovascular Medicine, 11 [PMID:39015683] [10.3389/fcvm.2024.1426379] |
1. Renjie Xu, Hongdan Zhu, Lingmin Hu, Beimeng Yu, Xiaohua Zhan, Yichu Yuan, Ping Zhou. (2020) Characterization of the intestinal absorption of morroniside from Cornus officinalis Sieb. et Zucc via a Caco-2 cell monolayer model. PLoS One, 15 (5): (e0227844). [PMID:32470043] [10.1371/journal.pone.0227844] |
2. Renjie Xu, Yichu Yuan, Jia Qi, Jia Zhou, Xiaowen Guo, Jian Zhang, Ruanjuan Zhan. (2018) Elucidation of the Intestinal Absorption Mechanism of Loganin in the Human Intestinal Caco-2 Cell Model. Evidence-based Complementary and Alternative Medicine, 2018 (8340563). [PMID:30671130] [10.1155/2018/8340563] |
3. Min Zhang, Ying Peng, Mengyue Wang, Beibei Gao, Lijuan Zhao, Xiaobo Li. (2019) The influence of compatibility of Si-Ni decoction with metabolism in intestinal bacteria on transports of toxic diterpenoid alkaloids from processed aconite root across Caco-2 monolayers. JOURNAL OF ETHNOPHARMACOLOGY, 228 (164). [PMID:30223050] [10.1016/j.jep.2018.09.022] |
4. Xu Renjie, Peng Ying, Wang Mengyue, Li Xiaobo. (2019) Intestinal Absorption of Isoalantolactone and Alantolactone, Two Sesquiterpene Lactones from Radix Inulae, Using Caco-2 Cells. EUROPEAN JOURNAL OF DRUG METABOLISM AND PHARMACOKINETICS, 44 (2): (295-303). [PMID:30209793] [10.1007/s13318-018-0510-x] |
5. Yanghui Chen, Yuan Li, Junliang Luo, Zixin Li, Yu Huang, Jia Cai, Dongneng Jiang, Defeng Zhang, Jichang Jian, Jun Qiang, Bei Wang. (2024) A novel study of brain microvascular endothelial cells induced by astrocyte conditioned medium for constructing blood brain barrier model in vitro: A promising tool for meningitis of teleost. FISH & SHELLFISH IMMUNOLOGY, 146 (109401). [PMID:38266792] [10.1016/j.fsi.2024.109401] |
6. Wang Aiping, Ning Jie, Zhao Lu, Xu Renjie. (2024) Lipid-lowering effect and oral transport characteristics study of curculigoside. Frontiers in Cardiovascular Medicine, 11 [PMID:39015683] [10.3389/fcvm.2024.1426379] |