Edatrexate

CAS 80576-83-6 MFCD00866254

化学结构图

80576-83-6
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. FormulaC22H25N7O5
Mol. Weight467.4778
Appearance white solid powder
SolubilitySoluble in DMSO, not in water

别名和识别编码

Chemical NameEdatrexate
FormulaC22H25N7O5
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
InChIKeyFSIRXIHZBIXHKT-MHTVFEQDSA-N
InChIInChI=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 SMILESO=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).

安全信息

Storage condition Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

系列性分类

  1. Medical Research Areas
  2. Metabolism
  3. Transferase

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