CAS 112887-68-0: Raltitrexed
Description:Raltitrexed, with the CAS number 112887-68-0, is a synthetic antifolate and an antineoplastic agent primarily used in the treatment of certain types of cancer, particularly colorectal cancer. It functions as a thymidylate synthase inhibitor, disrupting DNA synthesis by mimicking the natural substrate, thereby interfering with the proliferation of cancer cells. Raltitrexed is characterized by its structural similarity to folate, which allows it to effectively inhibit the enzyme responsible for converting deoxyuridine monophosphate to thymidine monophosphate, a critical step in DNA replication. The compound is typically administered intravenously and has a relatively long half-life, which can influence dosing schedules. Its efficacy is often evaluated in combination with other chemotherapeutic agents, and it may exhibit side effects common to chemotherapy, such as myelosuppression and gastrointestinal disturbances. Raltitrexed's pharmacokinetics and dynamics are influenced by factors such as patient metabolism and tumor characteristics, making personalized treatment approaches important for optimizing therapeutic outcomes.
Formula:C21H22N4O6S
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
InChI key:InChIKey=IVTVGDXNLFLDRM-HNNXBMFYSA-N
SMILES:O=C1N=C(NC2=CC=C(C=C12)CN(C=3SC(=CC3)C(=O)NC(C(=O)O)CCC(=O)O)C)C
- Synonyms:
- L-Glutamic acid, N-[[5-[[(1,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-
- N-[[5-[[(3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-L-glutamic acid
- L-Glutamic acid, N-[[5-[[(3,4-dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl]methylamino]-2-thienyl]carbonyl]-
- D 1694
- ICI-D 1694
![(S)-2-[(1-{5-[Methyl-(2-methyl-4-oxo-3,4-dihydro-quinazolin-6-ylmethyl)-amino]-thiophen-2-yl}-meth…](https://static.cymitquimica.com/products/IN/thumb/DA0038YQ.jpg)
