Edatrexate
CAS 80576-83-6 MFCD00866254
化学结构图
SMILES: CCC(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
化学属性
| Mol. Formula | C22H25N7O5 |
|---|---|
| Mol. Weight | 467.4778 |
| Appearance | white solid powder |
| Solubility | Soluble in DMSO, not in water |
别名和识别编码
| Chemical Name | Edatrexate |
|---|---|
| Formula | C22H25N7O5 |
| Synonym | 10-ethyldeazaaminopterin; 10-EDAM; CGP30694; CGP 30694; Edatrexate. |
| IUPAC Name | (2S)-2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid |
| InChIKey | FSIRXIHZBIXHKT-MHTVFEQDSA-N |
| InChI | InChI=1S/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/t11?,15-/m0/s1 |
| Canonical SMILES | O=C(O)[C@@H](NC(C1=CC=C(C(CC)CC2=NC3=C(N)N=C(N)N=C3N=C2)C=C1)=O)CCC(O)=O |
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产品应用
- Edatrexate is a polyglutamatable folate antagonist analogue of methotrexate with antineoplastic activity. Edatrexate inhibits dihydrofolate reductase, thereby increasing cellular levels of polyglutamates, inhibiting thymidylate synthase and glycinamide ribonucleotide formyl transferase, impairing synthesis of purine nucleotides and amino acids, and resulting in tumor cell death. Edatrexate may overcome tumor resistance to methotrexate, which loses its activity after it is polyglutamated. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus).
