Thymectacin

For research use only. Not for therapeutic Use.

  • CAT Number: I045673
  • CAS Number: 232925-18-7
  • Molecular Formula: C21H25BrN3O9P
  • Molecular Weight: 574.32
  • Purity: ≥95%
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Thymectacin (NB1011) is an agent selectively targeting tumor cells that have a high expression of thymidylate synthase (TS). Thymectacin is an aryloxy phosphoramidate derivative of BVdU (brivudin)[1][2].
Thymectacin (NB1011) is an agent selectively targeting tumor cells that have a high expression of thymidylate synthase (TS)[1].


Catalog Number I045673
CAS Number 232925-18-7
Synonyms

methyl (2S)-2-[[[(2R,3S,5R)-5-[5-[(E)-2-bromoethenyl]-2,4-dioxopyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Molecular Formula C21H25BrN3O9P
Purity ≥95%
InChI InChI=1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35?/m0/s1
InChIKey CFBLUORPOFELCE-BACVZHSASA-N
SMILES CC(C(=O)OC)NP(=O)(OCC1C(CC(O1)N2C=C(C(=O)NC2=O)C=CBr)O)OC3=CC=CC=C3
Reference

[1]. Wilson RH. Novel therapeutic developments other than EGFR and VEGF inhibition in colorectal cancer. Oncologist. 2006;11(9):1018-1024.
 [Content Brief]

[2]. Congiatu C, et al. Novel potential anticancer naphthyl phosphoramidates of BVdU: separation of diastereoisomers and assignment of the absolute configuration of the phosphorus center. J Med Chem. 2006;49(2):452-455.
 [Content Brief]

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