gamma-tert-Butyl methotrexate

• CAT Number: I027932
• CAS Number: 79640-76-9
• Molecular Formula: C24H30N8O5
• Molecular Weight: 510.55
• Purity: 98%
• Synonyms: gamma-tert-Butyl methotrexate; NSC 378900; NSC-378900; NSC378900; gamma-Tbmtx
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: (S)-5-(tert-butoxy)-2-(4-(((2,4-diaminopteridin-6-yl)methyl)(methyl)amino)benzamido)-5-oxopentanoic acid
• InChI: InChI=1S/C24H30N8O5/c1-24(2,3)37-17(33)10-9-16(22(35)36)29-21(34)13-5-7-15(8-6-13)32(4)12-14-11-27-20-18(28-14)19(25)30-23(26)31-20/h5-8,11,16H,9-10,12H2,1-4H3,(H,29,34)(H,35,36)(H4,25,26,27,30,31)/t16-/m0/s1
• InChIKey: AHTGHRYUTABCAE-INIZCTEOSA-N
• SMILES: O=C(OC(C)(C)C)CC[C@@H](C(O)=O)NC(C1=CC=C(N(CC2=NC3=C(N)N=C(N)N=C3N=C2)C)C=C1)=O

Gamma-tert-Butyl Methotrexate(CAT: I027932) is a modified derivative of methotrexate, a well-known dihydrofolate reductase (DHFR) inhibitor. It disrupts folate metabolism, impairing nucleotide synthesis and cell division, making it particularly significant in the oncology field. This compound is used in research to study antifolate resistance mechanisms, drug delivery optimization, and targeted cancer therapies. The tert-butyl modification enhances its stability and lipophilicity, aiding in biochemical studies and preclinical evaluations. Gamma-tert-Butyl Methotrexate is a valuable tool for advancing research in cancer treatment and understanding folate-dependent metabolic pathways.