1097638-00-0
Chemical Structure
Idetrexed trisodium
Synonym(s): BGC 945 trisodium; ONX 0801 trisodium; CB 300945 trisodium
- CAS No.: 1097638-00-0
- Formula:C32H30N5Na3O10
- Molecular Weight:713.58
IUPAC Name: sodium ((S)-4-carboxylato-4-(4-(((S)-2-(hydroxymethyl)-4-oxo-4,6,7,8-tetrahydro-1H-cyclopenta[g]quinazolin-6-yl)(prop-2-yn-1-yl)amino)benzamido)butanoyl)-D-glutamate
InChIKey: JMUBAMVCKZFETQ-GVNLSHJKSA-K
SMILES: O=C(N[C@H](C(O[Na])=O)CCC(N[C@@H](C(O[Na])=O)CCC(O[Na])=O)=O)C1=CC=C(N([C@H]2CCC3=C2C=C4C(NC(CO)=NC4=O)=C3)CC#C)C=C1
Biological Activity: Idetrexed (ONX 0801) trisodium is a thymidylate synthase (TS) inhibitor with a Ki of 1.2 nM. Idetrexed trisodium can be specifically transported into α-folate receptor (α-FR)-overexpressing tumors, such as ovarian cancer[1][2].
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Idetrexed trisodium | Idetrexed (ONX 0801) trisodium is a thymidylate synthase (TS) inhibitor with a Ki of 1.2 nM. Idetrexed trisodium can be specifically transported into α-folate receptor (α-FR)-overexpressing tumors, such as ovarian cancer. | |||||||||||||||||||||
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References
- [1]. Anna Tochowicz, et al. Development and binding mode assessment of N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-l-γ-glutamyl-D-glutamic acid (BGC 945), a novel thymidylate synthase inhibitor that targets tumor cells. J Med Chem. 2013 Jul 11;56(13):5446-55. [Content Brief]
- [2]. David D Gibbs, et al. BGC 945, a novel tumor-selective thymidylate synthase inhibitor targeted to alpha-folate receptor-overexpressing tumors. Cancer Res. 2005 Dec 15;65(24):11721-8. [Content Brief]
