Synonym
KU-5455; KU 5455; KU5455; NU-5455; NU 5455; NU5455
IUPAC/Chemical Name
N-(6-(2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-oxo-4H-chromen-8-yl)dibenzo[b,d]thiophen-2-yl)-N-methyl-2-morpholinoacetamide
InChi Key
NYHCXQIUWIEKQC-UHFFFAOYSA-N
InChi Code
InChI=1S/C34H33N3O5S/c1-35(31(39)20-36-12-14-40-15-13-36)21-8-11-30-28(16-21)26-6-3-5-25(34(26)43-30)24-4-2-7-27-29(38)17-32(42-33(24)27)37-18-22-9-10-23(19-37)41-22/h2-8,11,16-17,22-23H,9-10,12-15,18-20H2,1H3
SMILES Code
CN(C(CN1CCOCC1)=O)C2=CC=C3SC4=C(C=CC=C4C3=C2)C5=C(C6=CC=C5)OC(N7CC8CCC(C7)O8)=CC6=O
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
595.71
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: Willoughby CE, Jiang Y, Thomas HD, Willmore E, Kyle S, Wittner A, Phillips N,
Zhao Y, Tudhope SJ, Prendergast L, Junge G, Lourenco LM, Finlay MRV, Turner P,
Munck JM, Griffin RJ, Rennison T, Pickles J, Cano C, Newell DR, Reeves HL, Ryan
AJ, Wedge SR. Selective DNA-PKcs inhibition extends the therapeutic index of
localized radiotherapy and chemotherapy. J Clin Invest. 2020 Jan
2;130(1):258-271. doi: 10.1172/JCI127483. PMID: 31581151; PMCID: PMC6934184.
2: Jiang Y, Willmore E, Wedge SR, Ryan AJ. DNAPK Inhibition Preferentially
Compromises the Repair of Radiation-induced DNA Double-strand Breaks in
Chronically Hypoxic Tumor Cells in Xenograft Models. Mol Cancer Ther. 2021
Sep;20(9):1663-1671. doi: 10.1158/1535-7163.MCT-20-0857. Epub 2021 Jun 22. PMID:
34158348; PMCID: PMC7611623.
