Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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P141438-1g
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1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$36.90
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P141438-5g
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5g |
5
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$114.90
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P141438-25g
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25g |
6
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$517.90
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P141438-100g
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100g |
2
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$1,862.90
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Potent inhibitor of multidrug and toxin extrusion (MATE) transporters; also DHFR and STAT3 inhibitor
| Synonyms | 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 |
|---|---|
| Specifications & Purity | Moligand™, ≥98% |
| Biochemical and Physiological Mechanisms | Potent inhibitor of multidrug and toxin extrusion (MATE) transporters (Kivalues are 46 and 77 nM for human MATE2-K-HEK293 and MATE1-HEK293 cells respectively). Also inhibits dihydrofolate reductase (DHFR) and STAT3. Decreases proliferation of human autoso |
| Shipped In | Normal |
| Grade | Moligand™ |
| Action Type | INHIBITOR |
| Mechanism of action | Dihydrofolate reductase inhibitor |
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Aminopyrimidines and derivatives |
| Alternative Parents | Chlorobenzenes Hydropyrimidines Aryl chlorides Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Aminopyrimidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Heteroaromatic compound - Azacycle - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Primary amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | aminopyrimidine - monochlorobenzenes |
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| ALogP | 2.7 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Pubchem Sid | 488179870 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488179870 |
| 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) |
| InChIKey | WKSAUQYGYAYLPV-UHFFFAOYSA-N |
| 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 |
| UN Number | 2811 |
| Packing Group | I |
| Molecular Weight | 248.71 |
| Beilstein | 219864 |
| Reaxy-Rn | 219864 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=219864&ln= |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Feb 07, 2025 | P141438 | |
| Certificate of Analysis | Jun 20, 2024 | P141438 | |
| Certificate of Analysis | Jun 20, 2024 | P141438 | |
| Certificate of Analysis | Jun 20, 2024 | P141438 | |
| Certificate of Analysis | Aug 09, 2023 | P141438 | |
| Certificate of Analysis | Aug 09, 2023 | P141438 | |
| Certificate of Analysis | Aug 09, 2023 | P141438 | |
| Certificate of Analysis | Oct 21, 2022 | P141438 | |
| Certificate of Analysis | Sep 21, 2022 | P141438 | |
| Certificate of Analysis | Jan 19, 2022 | P141438 | |
| Certificate of Analysis | Jan 19, 2022 | P141438 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 24.87, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 2.49, Max Conc. mM: 10 |
|---|---|
| Melt Point(°C) | 239-242℃ |
| Molecular Weight | 248.710 g/mol |
| XLogP3 | 2.700 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 248.083 Da |
| Monoisotopic Mass | 248.083 Da |
| Topological Polar Surface Area | 77.800 Ų |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 243.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
| 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, |
| 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). |
| 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). |
| 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). |
| 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). |
| 6. Li Peiyao, Su Rina, Ren Ganglin, Si Hongbin, Song Xingju, Hu Dandan. (2025) Molecular mechanisms of surface antigen suppression by ApiAP2 and its implications for vaccine development. VETERINARY RESEARCH, 56 (1): (1-14). |