Synthesis and biological evaluation of a new series of dihydrofolate reductase inhibitors based on the 4-(2,6-diamino-5-pyrimidinyl)alkyl-L-glutamic acid structure

Bioorganic & Medicinal Chemistry Letters
1996.0

Abstract

A novel series of dihydrofolate reductase inhibitors was uncovered during an expansion of the SAR of 5,10-dideazatetrahydrofolic acid, and their biological activity was evaluated. These new analogs do not possess an oxygen at the 4 position and contain a monocyclic pyrimidine ring. 5,10-Dideazatetrahydrofolic acid I (DDATHF, 1) is a potent inhibitor of glycinamide ribonucleotide formyltransferase (GARFT). The 6R diastereomer of DDATHF (Lometrexol) is currently in Phase I clinical trials. LY2315142 (3), a pyrrolo[2,3 d]pyrimidine-based antifolate which inhibits primarily at thymidylate synthase (TS) is currently undergoing Phase II clinical trials. As part of the continuing SAR study of these novel classes of deazafolates, we have examined the role of the (3H)4-oxo group on the pyrimidine ring of both DDATHF and LY231514. The replacement of the 4-oxo group of DDATHF and LY231514 with a hydrogen atom has resulted in compounds such as LY2952483 (2) and LY2887843 (4) with complete loss of inhibitory activity against GARFT and TS. Cell culture end products reversal and enzyme inhibition studies have demonstrated that these 4-deoxy analogs do not inhibit GARFT and/or TS, but instead are potent inhibitors of human dihydrofolate reductase (hDHFR). This finding has prompted us to examine the corresponding less rigid, monocyclic pyrimidine based analogs with the methylene moiety in both the reduced pyridine and pyrrole rings being removed. Herein we describe the synthesis and biological evaluations of these two monocyclic pyrimidine compounds LY3163734 (5) and LY2982074 (6).

Knowledge Graph

Similar Paper

Synthesis and biological evaluation of a new series of dihydrofolate reductase inhibitors based on the 4-(2,6-diamino-5-pyrimidinyl)alkyl-L-glutamic acid structure
Bioorganic & Medicinal Chemistry Letters 1996.0
Synthesis and Biological Activities of Tricyclic Conformationally Restricted Tetrahydropyrido Annulated Furo[2,3-d]pyrimidines as Inhibitors of Dihydrofolate Reductases
Journal of Medicinal Chemistry 1998.0
Structural studies on bioactive compounds. 8. Synthesis, crystal structure and biological properties of a new series of 2,4-diamino-5-aryl-6-ethylpyrimidine dihydrofolate reductase inhibitors with in vivo activity against a methotrexate-resistant tumor cell line
Journal of Medicinal Chemistry 1989.0
Synthesis of N-{4-[(2,4-Diamino-5-methyl-4,7-dihydro-3H- pyrrolo[2,3-d]pyrimidin-6-yl)thio]benzoyl}-<scp>l</scp>-glutamic Acid and N-{4-[(2-Amino-4-oxo-5-methyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin- 6-yl)thio]benzoyl}-<scp>l</scp>-glutamic Acid as Dual Inhibitors of Dihydrofolate Reductase and Thymidylate Synthase and as Potential Antitumor Agents
Journal of Medicinal Chemistry 2005.0
Design, Synthesis, and Biological Activities of Classical N-{4-[2-(2-Amino-4-ethylpyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-<scp>l</scp>-glutamic Acid and Its 6-Methyl Derivative as Potential Dual Inhibitors of Thymidylate Synthase and Dihydrofolate Reductase and as Potential Antitumor Agents
Journal of Medicinal Chemistry 2003.0
Synthesis, Antifolate, and Antitumor Activities of Classical and Nonclassical 2-Amino-4-oxo-5-substituted-pyrrolo[2,3-d]pyrimidines
Journal of Medicinal Chemistry 2001.0
Design, Synthesis, and Biological Evaluation of Classical and Nonclassical 2-Amino-4-oxo-5-substituted-6-methylpyrrolo[3,2-d]pyrimidines as Dual Thymidylate Synthase and Dihydrofolate Reductase Inhibitors
Journal of Medicinal Chemistry 2008.0
Nonclassical 2,4-Diamino-8-deazafolate Analogues as Inhibitors of Dihydrofolate Reductases from Rat Liver, Pneumocystis carinii, and Toxoplasma gondii
Journal of Medicinal Chemistry 1996.0
Novel 8-deaza-5,6,7,8-tetrahydroaminopterin derivatives as dihydrofolate inhibitor: Design, synthesis and antifolate activity
European Journal of Medicinal Chemistry 2009.0
2,4-Diamino-5-deaza-6-Substituted Pyrido[2,3-d]pyrimidine Antifolates as Potent and Selective Nonclassical Inhibitors of Dihydrofolate Reductases
Journal of Medicinal Chemistry 1996.0