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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P114361-250mg |
250mg |
现货 ![]() |
| |
P114361-5g |
5g |
期货 ![]() |
|
别名 | 5-(4-氯苯基)-6-乙基-2,4-嘧啶二胺 |
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英文别名 | NCI-C01683 | Z3614QOX8W | CRL-8142 & Pyrimethamine | SMR000058714 | CPD000058714 | DTXCID601217 | Pyrimethamine (USP:INN:BAN:JAN) | PYRIMETHAMINE [JAN] | PYRIMETHAMINE [EP MONOGRAPH] | Malacid | RP 4753 | SR-01000003150 | FANSIDAR COMPONENT PYRIMETHAMINE |
规格或纯度 | Moligand™, 分析标准品 |
英文名称 | Pyrimethamine |
生化机理 | 竞争性二氢叶酸还原酶抑制剂。强大的MATE转运蛋白抑制剂(hMATE-2和hMATE-1的Ki值分别为46和77 nM)。抑制SOD1。在体内显示出抗鱼精的作用。口服具有活性 |
运输条件 | 常规运输 |
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。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。 |
产品介绍 |
无臭、无味。微溶于一般有机溶剂如乙醇、氯仿等。几乎不溶于冷水。溶于稀无机酸。 |
ALogP | 2.7 |
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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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EC号 | 200-364-2 |
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分子类型 | 小分子 |
IUPAC Name | 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine |
INCHI | InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17) |
InChi Key | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
Canonical SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl |
Isomeric SMILES | CCC1=C(C(=NC(=N1)N)N)C2=CC=C(C=C2)Cl |
PubChem CID | 4993 |
UN Number | 2811 |
Packing Group | I |
分子量 | 248.71 |
Beilstein号 | 219864 |
密度 | 1.305 |
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熔点 | 239-242℃ |
分子量 | 248.710 g/mol |
XLogP3 | 2.700 |
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 | 2 |
精确质量Exact Mass | 248.083 Da |
单同位素质量Monoisotopic Mass | 248.083 Da |
拓扑极表面积Topological Polar Surface Area | 77.800 Ų |
重原子数Heavy Atom Count | 17 |
形式电荷Formal Charge | 0 |
复杂度Complexity | 243.000 |
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 | 0 |
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 |
H302: 吞食有害 |
预防措施声明 |
P501: 将内容物/容器处理到。。。 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。 P330: 漱口 P301+P317: 如果被吞咽:请寻求医疗帮助。 |
Class | 6.1 |
Merck Index | 7985 |
1. Liran Tian, Xiangwei Song, Tianjiao Liu, Anfeng Li, Yang Ning, Xiuyi Hua, Deming Dong, Zhijun Song, Dapeng Liang. (2023) Spectrophotometric Determination of Acetamiprid Using Gold Nanoparticles (AuNPs) with Optimized Truncated Aptamers. ANALYTICAL LETTERS, [10.1080/00032719.2023.2289088] |
2. Guanxing Chen, Haohuai He, Lu Zhao, Qiujie Lv, Calvin Yu-Chian Chen. (2024) GINCM-DTA: A graph isomorphic network with protein contact map representation for potential use against COVID-19 and Omicron subvariants BQ.1, BQ.1.1, XBB.1.5, XBB.1.16. EXPERT SYSTEMS WITH APPLICATIONS, 236 (121274). [10.1016/j.eswa.2023.121274] |
3. Qian Jingqi, Wang Mian, Wang Zhaoxiang, Feng Rui, Zhang Jiaqi, Ye Chencheng, Zhang Man, Wang Baomin, Cui Liwang. (2022) Development of single- and multiplex immunoassays for rapid detection and quantitation of amodiaquine in ACT drugs and rat serum. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 414 (4): (1631-1640). [PMID:34846541] [10.1007/s00216-021-03787-6] |
4. Jian Lu, Yingying Qin, Yilin Wu, Minjia Meng, Zeqing Dong, Chao Yu, Yongsheng Yan, Chunxiang Li, Felix Kwame Nyarko. (2020) Bidirectional molecularly imprinted membranes for selective recognition and separation of pyrimethamine: A double-faced loading strategy. JOURNAL OF MEMBRANE SCIENCE, 601 (117917). [10.1016/j.memsci.2020.117917] |
5. Shuyi Huang, Manli Guo, Lei Tan, Jiean Tan, Jinyi Wu, Youwen Tang, Yong Liang. (2018) Click chemistry-based core–shell molecularly imprinted polymers for the determination of pyrimethamine in fish and plasma samples. Analytical Methods, 10 (23): (2750-2755). [10.1039/C8AY00876K] |
1. Liran Tian, Xiangwei Song, Tianjiao Liu, Anfeng Li, Yang Ning, Xiuyi Hua, Deming Dong, Zhijun Song, Dapeng Liang. (2023) Spectrophotometric Determination of Acetamiprid Using Gold Nanoparticles (AuNPs) with Optimized Truncated Aptamers. ANALYTICAL LETTERS, [10.1080/00032719.2023.2289088] |
2. Guanxing Chen, Haohuai He, Lu Zhao, Qiujie Lv, Calvin Yu-Chian Chen. (2024) GINCM-DTA: A graph isomorphic network with protein contact map representation for potential use against COVID-19 and Omicron subvariants BQ.1, BQ.1.1, XBB.1.5, XBB.1.16. EXPERT SYSTEMS WITH APPLICATIONS, 236 (121274). [10.1016/j.eswa.2023.121274] |
3. Qian Jingqi, Wang Mian, Wang Zhaoxiang, Feng Rui, Zhang Jiaqi, Ye Chencheng, Zhang Man, Wang Baomin, Cui Liwang. (2022) Development of single- and multiplex immunoassays for rapid detection and quantitation of amodiaquine in ACT drugs and rat serum. ANALYTICAL AND BIOANALYTICAL CHEMISTRY, 414 (4): (1631-1640). [PMID:34846541] [10.1007/s00216-021-03787-6] |
4. Jian Lu, Yingying Qin, Yilin Wu, Minjia Meng, Zeqing Dong, Chao Yu, Yongsheng Yan, Chunxiang Li, Felix Kwame Nyarko. (2020) Bidirectional molecularly imprinted membranes for selective recognition and separation of pyrimethamine: A double-faced loading strategy. JOURNAL OF MEMBRANE SCIENCE, 601 (117917). [10.1016/j.memsci.2020.117917] |
5. Shuyi Huang, Manli Guo, Lei Tan, Jiean Tan, Jinyi Wu, Youwen Tang, Yong Liang. (2018) Click chemistry-based core–shell molecularly imprinted polymers for the determination of pyrimethamine in fish and plasma samples. Analytical Methods, 10 (23): (2750-2755). [10.1039/C8AY00876K] |