CAS 80576-83-6

Edatrexate

Description:

Edatrexate, with the CAS number 80576-83-6, is a synthetic compound that belongs to the class of antifolate drugs, primarily used in the treatment of certain cancers and autoimmune diseases. It is a derivative of methotrexate, designed to inhibit dihydrofolate reductase, an enzyme critical for DNA synthesis and cell replication. This inhibition leads to a decrease in the availability of tetrahydrofolate, which is essential for the synthesis of nucleotides. Edatrexate exhibits a high affinity for the target enzyme, making it effective in disrupting the proliferation of rapidly dividing cells, such as cancer cells. The compound is typically administered intravenously and is characterized by its solubility in water, which facilitates its use in clinical settings. Its pharmacokinetics involve rapid distribution and metabolism, with renal excretion being a primary route of elimination. As with many chemotherapeutic agents, potential side effects may include myelosuppression, gastrointestinal disturbances, and hepatotoxicity, necessitating careful monitoring during treatment.

Formula: C₂₂H₂₅N₇O₅

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

InChI key: InChIKey=FSIRXIHZBIXHKT-MHTVFEQDSA-N

SMILES: NC=1C2=C(N=CC(CC(CC)C3=CC=C(C(N[C@@H](CCC(O)=O)C(O)=O)=O)C=C3)=N2)N=C(N)N1

Synonyms:

• 10-Ethyl-10-deazaaminopterin
• N-[4-[1-[(2,4-Diamino-6-pteridinyl)methyl]propyl]benzoyl]-L-glutamic acid
• Edatrexate
• N-[(4-{1-[(2,4-diaminopteridin-6-yl)methyl]propyl}phenyl)carbonyl]-L-glutamic acid
• N-{4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl}glutamic acid
• L-Glutamic acid, N-[4-[1-[(2,4-diamino-6-pteridinyl)methyl]propyl]benzoyl]-
• CGP 30694

Edatrexate

CAS: 80576-83-6

Edatrexate (CGP 30694), a Methotrexate analog, combats MTX-resistant tumors and researches various cancers.

Formula: C₂₂H₂₅N₇O₅

Color and Shape: Solid

Molecular weight: 467.48

Ref: TM-T68661