| Chemical & Physical Properties | |
|---|---|
| CAS Number | 357166-29-1 |
| Catalog No. | 2A-9090874 |
| Chinese Name | 培美曲赛二钠七水合物 |
| Synonyms | pemetrexed disodium heptahydrate; Pemetrexed (sodium salt hydrate) |
| Molecular Formula | C20H33N5Na2O13 |
| Molecular Weight | 597.48 |
| Appearance | white to beige |
| Water Solubility | H2O: soluble30mg/mL, clear |
| Storage Condition | 2-8°C |
| Application | Pemetrexed disodium heptahydrate is a folate antagonist. Inhibits thymidylate synthase (TS), dihydrofolate reductase (DHFR) and glycinamide nucleotide formyltransferase (GARFT) with Ki of 1.3 nM, 7.2 |
| PubChem ID | 47208159 |
| SMILES | [Na+].[Na+].[nH]1c2[nH]cc(c2[c](nc1N)=O)CCc3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.O |
| InChI | 1S/C20H21N5O6.2Na.7H2O/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);;;7*1H2/q;2*+1;;;;;;;/p-2/t13-;;;;;;;;;/m0........./s1 |
| InChI Key | QJVSMHJWAOSBMD-MYXYZBIASA-L |
| NACRES Code | NA.24 |
| UNSPSC | 41116107 |
| MSDS | msds/90874_1_357166_29_1.pdf |
| Transport Info | Product name: Pemetrexed disodium 7-hydrate (CEP) |
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