Synonym
HDAC8-PROTAC, HD-AC8-PROTAC, HDAC8PROTAC
IUPAC/Chemical Name
N-(11-((2-(2,6-Dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)undecyl)-3-(((1-(3-(hydroxycarbamoyl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thio)benzamide
InChi Key
CRZGRNBMUQNJFY-UHFFFAOYSA-N
InChi Code
InChI=1S/C41H46N8O7S/c50-35-20-19-34(39(53)44-35)49-40(54)32-17-12-18-33(36(32)41(49)55)42-21-8-6-4-2-1-3-5-7-9-22-43-37(51)28-14-11-16-31(24-28)57-26-29-25-48(47-45-29)30-15-10-13-27(23-30)38(52)46-56/h10-18,23-25,34,42,56H,1-9,19-22,26H2,(H,43,51)(H,46,52)(H,44,50,53)
SMILES Code
O=C(NCCCCCCCCCCCNC1=CC=CC(C(N2C(CC3)C(NC3=O)=O)=O)=C1C2=O)C4=CC=CC(SCC5=CN(C6=CC=CC(C(NO)=O)=C6)N=N5)=C4
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
794.73
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Chotitumnavee J, Yamashita Y, Takahashi Y, Takada Y, Iida T, Oba M, Itoh Y, Suzuki T. Selective degradation of histone deacetylase 8 mediated by a proteolysis targeting chimera (PROTAC). Chem Commun (Camb). 2022 Apr 7;58(29):4635-4638. doi: 10.1039/d2cc00272h. PMID: 35311871.
2: Darwish S, Ghazy E, Heimburg T, Herp D, Zeyen P, Salem-Altintas R, Ridinger J, Robaa D, Schmidtkunz K, Erdmann F, Schmidt M, Romier C, Jung M, Oehme I, Sippl W. Design, Synthesis and Biological Characterization of Histone Deacetylase 8 (HDAC8) Proteolysis Targeting Chimeras (PROTACs) with Anti- Neuroblastoma Activity. Int J Mol Sci. 2022 Jul 7;23(14):7535. doi: 10.3390/ijms23147535. PMID: 35886887; PMCID: PMC9322761.
3: Sun Z, Deng B, Yang Z, Mai R, Huang J, Ma Z, Chen T, Chen J. Discovery of pomalidomide-based PROTACs for selective degradation of histone deacetylase 8. Eur J Med Chem. 2022 Sep 5;239:114544. doi: 10.1016/j.ejmech.2022.114544. Epub 2022 Jun 21. PMID: 35759908.
4: Cao J, Zhao W, Zhao C, Liu Q, Li S, Zhang G, Chou CJ, Zhang Y. Development of a Bestatin-SAHA Hybrid with Dual Inhibitory Activity against APN and HDAC. Molecules. 2020 Oct 28;25(21):4991. doi: 10.3390/molecules25214991. PMID: 33126591; PMCID: PMC7662900
