Synonym
AZD9898; AZD-9898; AZD 9898;
IUPAC/Chemical Name
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-methoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid
InChi Key
RVMWIVNHZMXEHS-UWVGGRQHSA-N
InChi Code
InChI=1S/C20H19ClF3N3O4/c1-20(2,24)8-27(14-5-11(21)12(22)6-13(14)23)15-7-25-16(18(26-15)31-3)17(28)9-4-10(9)19(29)30/h5-7,9-10H,4,8H2,1-3H3,(H,29,30)/t9-,10-/m0/s1
SMILES Code
O=C([C@@H]1[C@@H](C(C2=NC=C(N(C3=CC(Cl)=C(F)C=C3F)CC(C)(F)C)N=C2OC)=O)C1)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
2934.99.9001
Preparing Stock Solutions
The following data is based on the
product
molecular weight
457.83
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: Munck Af Rosenschöld M, Johannesson P, Nikitidis A, Tyrchan C, Chang HF, Rönn
R, Chapman D, Ullah V, Nikitidis G, Glader P, Käck H, Bonn BK, Wågberg F,
Björkstrand E, Andersson U, Swedin L, Rohman M, Andreasson T, Lamm Bergstr Ouml M
E, Jiang F, Zhou X, Lundqvist A, Malmberg A, Ek ME, Gordon E, Pettersen A, Ripa
L, Davis AM. Discovery of the Oral Leukotriene-C4 Synthetase Inhibitor
(1S,2S)-2-({5-[(5-Chloro-2,4-difluorophenyl)(2-fluoro-2-methylpropyl)amino]-3-met
hoxypyrazin-2-yl}carbonyl)cyclopropanecarboxylic acid (AZD9898) as a New
Treatment for Asthma. J Med Chem. 2019 Aug 15. doi: 10.1021/acs.jmedchem.9b00555.
[Epub ahead of print] PubMed PMID: 31415176.
