Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Pemetrexed is a novel antifolate and antimetabolite for TS, DHFR and GARFT with Ki of 1.3 nM, 7.2 nM and 65 nM, respectively.
| Pubchem Sid | 504773280 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504773280 |
| Canonical Smiles | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)NC(CCC(=O)O)C(=O)O |
| IUPAC Name | (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid |
| InChIKey | WBXPDJSOTKVWSJ-ZDUSSCGKSA-N |
| INCHI | 1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1 |
| Isomeric SMILES | C1=CC(=CC=C1CCC2=CNC3=C2C(=O)NC(=N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O |
| RTECS | LZ9950100 |
| Alternate CAS | 137281-23-3 |
| NSC Number | 698037 |
| MeSH Entry Terms | 231,514, LY;231514, LY;ALIMTA;Disodium, Pemetrexed;LY 231,514;LY 231514;LY-231,514;LY-231514;LY231514;MTA;N-(4-(2-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid;pemetrexed;pemetrexed disodium |
| Molecular Weight | 427.41 |
| Reaxy-Rn | 13572453 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13572453&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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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 | Apr 23, 2026 | P125303 | |
| Certificate of Analysis | Apr 23, 2026 | P125303 | |
| Certificate of Analysis | Apr 23, 2026 | P125303 | |
| Certificate of Analysis | Apr 15, 2026 | P125303 | |
| Certificate of Analysis | Jan 31, 2026 | P125303 | |
| Certificate of Analysis | Jul 09, 2025 | P125303 | |
| Certificate of Analysis | May 15, 2024 | P125303 | |
| Certificate of Analysis | Oct 17, 2022 | P125303 |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 42.74, Max Conc. mM: 100 |
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| Sensitivity | Heat Sensitive |
| Molecular Weight | 427.400 g/mol |
| XLogP3 | 0.200 |
| Hydrogen Bond Donor Count | 6 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 427.149 Da |
| Monoisotopic Mass | 427.149 Da |
| Topological Polar Surface Area | 187.000 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 748.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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. Shuojiong Pan, Tianyu Li, Yizheng Tan, Huaping Xu. (2021) Selenium-containing nanoparticles synergistically enhance Pemetrexed&NK cell-based chemoimmunotherapy. BIOMATERIALS, [PMID:34922271] [10.1016/j.biomaterials.2021.121321] |
| 2. Kui Wang, Qi-Qi Wang, Mi-Ni Wang, Siyang Xing, Bolin Zhu, Ze-Hao Zhang. (2019) Supramolecular Amphiphilic Assembly Formed by the Complexation of Calixpyridinium with Alimta. LANGMUIR, [PMID:31203624] [10.1021/acs.langmuir.9b01336] |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
View Moligand™ grade guide →