Raltitrexed

Raltitrexed is an inhibitor of thymidylate synthase (Ki = 62 nM). It inhibits the growth of L1210 mouse lymphocytic leukemia cells in vitro (IC50 = 8 nM) as well as reduces thymidylate synthase activity and completely eliminates tumors in a mouse L1210:ICR ascitic tumor model when administered at a dose of 4 mg/kg, effects that can be reversed by administration of thymidine. It also reduces tumor growth and the number of metastases in an HCT116-luc mouse xenograft model. Formulations containing raltitrexed have been used in the treatment of advanced colorectal cancers.Formal Name: N-[[5-[[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-L-glutamic acid. CAS Number: 112887-68-0. Synonyms: ICI-D 1694, ZD 1694. Molecular Formula: C21H22N4O6S. Formula Weight: 458.5. Purity: >98%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMSO: 92 mg/ml at 25° C, Ethanol: <1 mg/ml at 25° C, Methanol: (warmed) soluble, Water: <1 mg/ml at 25° C. lambdamax: 226, 266, 341 nm. SMILES: CC1=NC(C2=C(C=CC(CN(C)C3=CC=C(C(N[C@H](C(O)=O)CCC(O)=O)=O)S3)=C2)N1)=O. InChi Code: InChI=1S/C21H22N4O6S/c1-11-22-14-4-3-12(9-13(14)19(28)23-11)10-25(2)17-7-6-16(32-17)20(29)24-15(21(30)31)5-8-18(26)27/h3-4,6-7,9,15H,5,8,10H2,1-2H3,(H,24,29)(H,26,27)(H,30,31)(H,22,23,28)/t15-/m0/s1. InChi Key: IVTVGDXNLFLDRM-HNNXBMFYSA-N.