Synonym
MDK-8650; MDK 8650; MDK8650; PKC-theta inhibitor;
IUPAC/Chemical Name
N4-((4-(aminomethyl)cyclohexyl)methyl)-5-nitro-N2-(2-(trifluoromethoxy)benzyl)pyrimidine-2,4-diamine
InChi Key
HKOWATVSFKRXRW-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H25F3N6O3/c21-20(22,23)32-17-4-2-1-3-15(17)11-26-19-27-12-16(29(30)31)18(28-19)25-10-14-7-5-13(9-24)6-8-14/h1-4,12-14H,5-11,24H2,(H2,25,26,27,28)
SMILES Code
FC(F)(F)OC1=CC=CC=C1CNC2=NC=C([N+]([O-])=O)C(NCC3CCC(CN)CC3)=N2
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
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
454.45
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: Cywin CL, Dahmann G, Prokopowicz AS 3rd, Young ER, Magolda RL, Cardozo MG,
Cogan DA, Disalvo D, Ginn JD, Kashem MA, Wolak JP, Homon CA, Farrell TM, Grbic H,
Hu H, Kaplita PV, Liu LH, Spero DM, Jeanfavre DD, O'Shea KM, White DM, Woska JR
Jr, Brown ML. Discovery of potent and selective PKC-theta inhibitors. Bioorg Med
Chem Lett. 2007 Jan 1;17(1):225-30. Epub 2006 Oct 19. PubMed PMID: 17055721.
