Synonym
AS-2521780; AS 2521780; AS2521780
IUPAC/Chemical Name
4-({[(1R,3R,4s,5S)-4-{[(trans-4-Hydroxycyclohexyl) methyl]amino}adamantan-1-yl]methyl}amino)-2-({[2-(methylsulfanyl)pyridin-3-yl]methyl}amino)pyrimidine-5-carbonitrile
InChi Key
YMYFRDZTZVZUPF-BTBPLRBESA-N
InChi Code
InChI=1S/C30H41N7OS/c1-39-28-21(3-2-8-32-28)16-34-29-35-17-24(14-31)27(37-29)36-18-30-11-20-9-22(12-30)26(23(10-20)13-30)33-15-19-4-6-25(38)7-5-19/h2-3,8,17,19-20,22-23,25-26,33,38H,4-7,9-13,15-16,18H2,1H3,(H2,34,35,36,37)/t19-,20?,22-,23+,25-,26+,30+
SMILES Code
N#CC1=CN=C(NCC2=CC=CN=C2SC)N=C1NC[C@]34C[C@]5([H])[C@H](NC[C@H]6CC[C@H](O)CC6)[C@@](C4)([H])CC(C5)C3
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
547.77
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: Fukahori H, Chida N, Maeda M, Tasaki M, Kawashima T, Noto T, Tsujimoto S, Nakamura K, Oshima S, Hirose J, Higashi Y, Morokata T. Effect of novel PKCθ selective inhibitor AS2521780 on acute rejection in rat and non-human primate models of transplantation. Int Immunopharmacol. 2015 Aug;27(2):232-7. doi: 10.1016/j.intimp.2015.06.016. Epub 2015 Jun 26. PubMed PMID: 26122135.
2: Fukahori H, Chida N, Maeda M, Tasaki M, Kawashima T, Matsuoka H, Suzuki K, Ishikawa T, Tanaka A, Higashi Y. Effect of AS2521780, a novel PKCθ selective inhibitor, on T cell-mediated immunity. Eur J Pharmacol. 2014 Dec 15;745:217-22. doi: 10.1016/j.ejphar.2014.10.045. Epub 2014 Nov 6. PubMed PMID: 25445039.
