For research use only. Not for therapeutic Use.
NICE-01 (AP1867-PEG2-JQ1; AP-PEG2-JQ1) is a bifunctional compound that bind to proteins in separate cellular compartments that can induce nuclear import of cytosolic cargoes, using nuclear-localized bromodomain-containing protein 4 (BRD4) as a “carrier” for co-import and nuclear trapping of cytosolic proteins[1].
| CAS Number | 2982819-94-1 |
| Synonyms | [(1R)-1-[3-[2-[2-[2-[2-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]phenyl]-3-(3,4-dimethoxyphenyl)propyl] (2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)butanoyl]piperidine-2-carboxylate |
| Molecular Formula | C63H76ClN7O13S |
| Purity | ≥95% |
| InChI | InChI=1S/C63H76ClN7O13S/c1-10-47(44-34-53(78-7)59(80-9)54(35-44)79-8)61(74)70-27-12-11-16-49(70)63(75)84-50(23-17-41-18-24-51(76-5)52(32-41)77-6)43-14-13-15-46(33-43)83-37-56(73)66-26-29-82-31-30-81-28-25-65-55(72)36-48-60-69-68-40(4)71(60)62-57(38(2)39(3)85-62)58(67-48)42-19-21-45(64)22-20-42/h13-15,18-22,24,32-35,47-50H,10-12,16-17,23,25-31,36-37H2,1-9H3,(H,65,72)(H,66,73)/t47-,48-,49-,50+/m0/s1 |
| InChIKey | USCBOLCYUGPYAF-YUZLDYPQSA-N |
| SMILES | CCC(C1=CC(=C(C(=C1)OC)OC)OC)C(=O)N2CCCCC2C(=O)OC(CCC3=CC(=C(C=C3)OC)OC)C4=CC(=CC=C4)OCC(=O)NCCOCCOCCNC(=O)CC5C6=NN=C(N6C7=C(C(=C(S7)C)C)C(=N5)C8=CC=C(C=C8)Cl)C |
| Reference | [1]. William J. Gibson, et al. Bifunctional small molecules that induce nuclear localization and targeted transcriptional regulation. Version 1. bioRxiv. Preprint. 2023 Jul 7. |
| Chemistry Calculators | Dilution Calculator In vivo Formulation Calculator Molarity Calculator Molecular Weight Calculator Reconstitution Calculator |
