CAS 43170-88-3: Methotrexate diethyl ester

Description: Methotrexate diethyl ester, with the CAS number 43170-88-3, is a derivative of methotrexate, a well-known antimetabolite and chemotherapeutic agent primarily used in the treatment of certain cancers and autoimmune diseases. This compound features diethyl ester groups that enhance its lipophilicity, potentially affecting its pharmacokinetics and bioavailability compared to the parent compound. Methotrexate diethyl ester is characterized by its ability to inhibit dihydrofolate reductase, an enzyme critical for DNA synthesis and cell division. This inhibition leads to reduced proliferation of rapidly dividing cells, making it effective in cancer therapy. The compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its chemical structure includes a pteridine ring, a para-aminobenzoic acid moiety, and the diethyl ester functional groups. As with many pharmaceuticals, it is essential to handle methotrexate diethyl ester with care, as it may have toxic effects and requires appropriate safety measures during use and disposal.

Formula: C₂₄H₃₀N₈O₅

InChI: InChI=1S/C24H30N8O5/c1-4-36-18(33)11-10-17(23(35)37-5-2)29-22(34)14-6-8-16(9-7-14)32(3)13-15-12-27-21-19(28-15)20(25)30-24(26)31-21/h6-9,12,17H,4-5,10-11,13H2,1-3H3,(H,29,34)(H4,25,26,27,30,31)/t17-/m0/s1

InChI key: InChIKey=MZRRIAJJDAPQRO-KRWDZBQOSA-N

SMILES: O=C(OCC)CCC(NC(=O)C1=CC=C(C=C1)N(C)CC=2N=C3C(=NC2)N=C(N=C3N)N)C(=O)OCC

Synonyms:

• Methotrexate diethyl ester
• L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, 1,5-diethyl ester
• L-Glutamic acid, N-[4-[[(2,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, diethyl ester
• Diethyl methotrexate

Methotrexate Diethyl Ester

CAS: 43170-88-3

• Formula: C₂₄H₃₀N₈O₅
• Color and Shape: Neat
• Molecular weight: 510.54

Methotrexate diethyl ester

CAS: 43170-88-3

Methotrexate diethyl ester: antineoplastic, immunosuppressant, blocks tetrahydrofolate synthesis, inhibits DNA component formation.

• Formula: C₂₄H₃₀N₈O₅
• Color and Shape: Liquid
• Molecular weight: 510.55