For research use only. Not for therapeutic Use.
JS230 is a Trifunctional Molecular System “Programmed” to Block Epidermal Growth Factor Receptor Tyrosine Kinase, Induce High Levels of DNA Damage, and Inhibit the DNA Repair Enzyme (Poly(ADP-ribose) Polymerase) in Prostate Cancer Cells.
| Catalog Number | I029871 |
| Synonyms | JS230; JS-230; JS 230; |
| Molecular Formula | C45H45BrFN11O6S |
| Purity | 98% |
| Solubility | Soluble in DMSO |
| Appearance | Solid powder |
| Storage | Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). |
| IUPAC Name | 2-((4-((3-bromophenyl)amino)quinazolin-6-yl)(methyl)amino)ethyl 2-(1-(4-(4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazin-1-yl)-4-oxobutyl)-1H-1,2,3-triazol-4-yl)ethane-1-sulfonate |
| InChI | InChI=1S/C45H45BrFN11O6S/c1-55(34-12-14-40-38(27-34)43(49-29-48-40)50-32-7-4-6-31(46)26-32)21-22-64-65(62,63)23-15-33-28-58(54-51-33)16-5-10-42(59)56-17-19-57(20-18-56)45(61)37-24-30(11-13-39(37)47)25-41-35-8-2-3-9-36(35)44(60)53-52-41/h2-4,6-9,11-14,24,26-29H,5,10,15-23,25H2,1H3,(H,53,60)(H,48,49,50) |
| InChIKey | HDBSHKDWWYJNGT-UHFFFAOYSA-N |
| SMILES | BrC1=CC=CC(NC2=NC=NC3=C2C=C(N(C)CCOS(CCC4=CN(CCCC(N5CCN(C(C6=C(F)C=CC(CC(C7=C8C=CC=C7)=NNC8=O)=C6)=O)CC5)=O)N=N4)(=O)=O)C=C3)=C1 |
| Reference | 1: Schmitt J, Huang S, Goodfellow E, Williams C, Jean-Claude BJ. Design and Synthesis of a Trifunctional Molecular System "Programmed" to Block Epidermal Growth Factor Receptor Tyrosine Kinase, Induce High Levels of DNA Damage, and Inhibit the DNA Repair Enzyme (Poly(ADP-ribose) Polymerase) in Prostate Cancer Cells [published online ahead of print, 2020 Jun 2]. J Med Chem. 2020;10.1021/acs.jmedchem.9b02008. doi:10.1021/acs.jmedchem.9b02008 |
