Synonym
CFI-401980; CFI 401980; CFI401980.
IUPAC/Chemical Name
N-cyclopropyl-2-methyl-4-(2-phenoxy-4-(((tetrahydro-2H-pyran-4-yl)methyl)amino)pyrazolo[1,5-a][1,3,5]triazin-8-yl)benzamide
InChi Key
SPYVZMIWNDEJND-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
SMILES Code
O=C(NC1CC1)C2=CC=C(C3=C4N(N=C3)C(NCC5CCOCC5)=NC(OC6=CC=CC=C6)=N4)C=C2C
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, not in water
Shelf Life
>2 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
498.59
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 |
Discovery of 4-(4-aminopyrazolo[1,5-a][1,3,5]triazin-8-yl)benzamides as Novel,
highly potent and selective, orally bioavailable inhibitors of Tyrosine Threonine
Kinase, TTK
Radoslaw Laufer, Sze-Wan Li, Yong Liu, Grace Ng, Yunhui Lang, Miklos
Feher, Richard Brokx, Irina Beletskaya, Richard Hodgson, Guodong Mao, Olga
Plotnikova, Donald E. Awrey, Jacqueline M. Mason, Xin Wei, Dan Chi-Chia
Lin, Yi Che, Reza Kiarash, Brian Madeira, Graham C. Fletcher, Tak W. Mak,
Mark R. Bray, Henry W. Pauls
PII: S0960-894X(16)30631-X
DOI: http://dx.doi.org/10.1016/j.bmcl.2016.06.021
Reference: BMCL 23974
To appear in: Bioorganic & Medicinal Chemistry Letters