Description:
Raltitrexed is a thymidylate synthase inhibitor with an IC50 of 9 nM for the inhibition of L1210 cell growth. Raltitrexed is used as an antimetabolite drug used in the treatment of colorectal cancer, and may be beneficial for malignant mesothelioma treatment.
- Molecular Weight: 458.49
- Molecular Formula: C21H22N4O6S
Purity: > 98%
Canonical SMILES:
CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC=C(S3)C(=O)NC(CCC(=O)O)C(=O)O
InChI:
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
InChIKey: IVTVGDXNLFLDRM-HNNXBMFYSA-N
- Melting Point: 176-180°C (dec.)
- Appearance: Yellow Solid
- Application: the treatment of colorectal cancer
Synonyms:
Tomudex; ZD1694; ZD-1694; ICI-D1694; (2S)-2-[[5-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]thiophene-2-carbonyl]amino]pentanedioic acid
More details are to be found on supplier website
