501332-69-0
Chemical Structure
Idetrexed
Synonym(s): BGC 945; ONX-0801; CB 300945
- CAS No.: 501332-69-0
- Formula:C32H33N5O10
- Molecular Weight:647.63
IUPAC Name: ((S)-4-carboxy-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-glutamic acid
InChIKey: NVHRBQOZEMFKLD-CUYJMHBOSA-N
SMILES: C#CCN(C1=CC=C(C=C1)C(N[C@H](C(O)=O)CCC(N[C@@H](C(O)=O)CCC(O)=O)=O)=O)[C@@H]2C3=CC(C(N=C(N4)CO)=O)=C4C=C3CC2
Biological Activity: Idetrexed (ONX 0801) is a thymidylate synthase (TS) inhibitor with a Ki of 1.2 nM. Idetrexed can be specifically transported into α-folate receptor (α-FR)-overexpressing tumors, such as ovarian cancer[1][2].
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Idetrexed | Idetrexed (ONX 0801) is a thymidylate synthase (TS) inhibitor with a Ki of 1.2 nM. Idetrexed can be specifically transported into α-folate receptor (α-FR)-overexpressing tumors, such as ovarian cancer. | |||||||||||||||||||||
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- [1]. Tochowicz A, Dalziel S, Eidam O, O'Connell JD 3rd, Griner S, Finer-Moore JS, Stroud RM. 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]. Gibbs DD, Theti DS, Wood N, Green M, Raynaud F, Valenti M, Forster MD, Mitchell F, Bavetsias V, Henderson E, Jackman 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]
Keywords
