Synonym
MK-8318; MK 8318; MK8318;
IUPAC/Chemical Name
4-(cyclopropyl((3aS,9R,9aR)-7-fluoro-4-(4-(trifluoromethoxy)benzoyl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]quinolin-9-yl)amino)-4-oxobutanoic
acid
InChi Key
BNMORDXQPYWZBW-FZOAFFARSA-N
InChi Code
InChI=1S/C27H26F4N2O5/c28-16-6-11-22-20(14-16)25(32(17-7-8-17)23(34)12-13-24(35)36)19-2-1-3-21(19)33(22)26(37)15-4-9-18(10-5-15)38-27(29,30)31/h4-6,9-11,14,17,19,21,25H,1-3,7-8,12-13H2,(H,35,36)/t19-,21+,25-/m1/s1
SMILES Code
O=C(O)CCC(N(C1CC1)[C@@H]2[C@@](CCC3)([H])[C@@]3([H])N(C(C4=CC=C(OC(F)(F)F)C=C4)=O)C5=C2C=C(F)C=C5)=O
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
2934.99.03.00
Preparing Stock Solutions
The following data is based on the
product
molecular weight
534.51
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 MK-8318, a Potent and Selective CRTh2 Receptor Antagonist for the Treatment of Asthma
Xianhai Huang, Jason Brubaker, Wei Zhou, Purakkattle J. Biju, Li Xiao, Ning Shao, Ying Huang, Li Dong, Zhidan Liu, Rema Bitar, Alexei Buevich, Joon Jung, Scott L. Peterson, John W. Butcher, Joshua Close, Michelle Martinez, Rachel N. MacCoss, Hongjun Zhang, Scott Crawford, Kevin D. McCormick, Robert Aslanian, Ravi Nargund, Craig Correll, Francois Gervais, Hongchen Qiu, Xiaoxin Yang, Charles Garlisi, Diane Rindgen, Kevin M. Maloney, Phieng Siliphaivanh, and Anandan Palani
Publication Date (Web): June 23, 2018 (Letter)
DOI: 10.1021/acsmedchemlett.8b00145
