Synonym
S-WJM992; SWJM992; S WJM992
IUPAC/Chemical Name
(R)-N-(5-chloropyridin-3-yl)-6-fluoro-4-methyl-8-(1-methyl-1H-pyrazol-4-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
InChi Key
FXTOIXOMBUVTTG-JOCHJYFZSA-N
InChi Code
InChI=1S/C22H18ClFN6O3/c1-28-11-13(8-26-28)12-5-16(24)19-17(6-12)30-18(31)3-4-22(30,29(2)20(19)32)21(33)27-15-7-14(23)9-25-10-15/h5-11H,3-4H2,1-2H3,(H,27,33)/t22-/m1/s1
SMILES Code
CN1N=CC(C2=CC(N(C(CC3)=O)[C@]3(C(NC4=CC(Cl)=CN=C4)=O)N(C)C5=O)=C5C(F)=C2)=C1
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
468.87
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 |
Ashton TD, Calic PPS, Dans MG, Ooi ZK, Zhou Q, Palandri J, Loi K, Jarman KE, Qiu D, Lehane AM, Maity BC, De N, Giannangelo C, MacRaild CA, Creek DJ, Mao EY, Gancheva MR, Wilson DW, Chowdury M, de Koning-Ward TF, Famodimu MT, Delves MJ, Pollard H, Sutherland CJ, Baud D, Brand S, Jackson PF, Cowman AF, Sleebs BE. Property and Activity Refinement of Dihydroquinazolinone-3-carboxamides as Orally Efficacious Antimalarials that Target PfATP4. J Med Chem. 2024 Aug 22;67(16):14493-14523. doi: 10.1021/acs.jmedchem.4c01241. Epub 2024 Aug 12. PMID: 39134060; PMCID: PMC11345840.