Lometrexol hydrate

• CAT Number: I015344
• CAS Number: 1435784-14-7
• Molecular Formula: C₂₁H₂₇N₅O₇
• Molecular Weight: 461.47
• Purity: ≥95%
• Storage: Store at -20°C
• IUPAC Name: (2S)-2-[[4-[2-[(6R)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]benzoyl]amino]pentanedioic acid;hydrate
• InChI: InChI=1S/C21H25N5O6.H2O/c22-21-25-17-14(19(30)26-21)9-12(10-23-17)2-1-11-3-5-13(6-4-11)18(29)24-15(20(31)32)7-8-16(27)28;/h3-6,12,15H,1-2,7-10H2,(H,24,29)(H,27,28)(H,31,32)(H4,22,23,25,26,30);1H2/t12-,15+;/m1./s1
• InChIKey: AEFQSKJUVDZANQ-YLCXCWDSSA-N
• SMILES: C1C(CNC2=C1C(=O)NC(=N2)N)CCC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O.O

Lometrexol hydrate (Cat No.:I015344) is an antipurine antifolate compound with various mechanisms of action. It inhibits the activity of glycinamide ribonucleotide formyltransferase (GARFT), disrupting de novo purine synthesis and leading to abnormal cell proliferation, apoptosis, and cell cycle arrest. It exhibits anticancer activity by interfering with DNA synthesis without causing significant DNA strand breaks. Additionally, Lometrexol hydrate acts as a potent inhibitor of human Serine hydroxymethyltransferase 1/2 (hSHMT1/2).

Reference

[1]. Xu L, et al. The effect of inhibiting glycinamide ribonucleotide formyl transferase on the development of neural tube in mice. Nutr Metab (Lond). 2016 Aug 23;13(1):56.[2]. Julie L Bronder, et al. Antifolates Targeting Purine Synthesis Allow Entry of Tumor Cells Into S Phase Regardless of p53 Function. Cancer Res. 2002 Sep 15;62(18):5236-41.[3]. Emma Scaletti, et al. Structural basis of inhibition of the human serine hydroxymethyltransferase SHMT2 by antifolate drugs. FEBS Lett. 2019 Jul;593(14):1863-1873.