Synonym
DSM1465; DSM 1465; DSM-1465
IUPAC/Chemical Name
(R)-3-(1-(5-chloro-6-(trifluoromethyl)pyridin-3-yl)-2,2,2-trifluoro-1-hydroxyethyl)-6-cyclopropyl-2-methyl-2,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
InChi Key
AYPNKXCMMPXJPL-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H12ClF6N5O2/c1-28-13(10-11(27-28)14(30)29(6-26-10)8-2-3-8)15(31,17(22,23)24)7-4-9(18)12(25-5-7)16(19,20)21/h4-6,8,31H,2-3H2,1H3
SMILES Code
O=C1N(C2CC2)C=NC3=C([C@@](O)(C(F)(F)F)C4=CC(Cl)=C(C(F)(F)F)N=C4)N(C)N=C13
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
467.76
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 |
Nie Z, Bonnert R, Tsien J, Deng X, Higgs C, El Mazouni F, Zhang X, Li R, Ho N, Feher V, Paulsen J, Shackleford DM, Katneni K, Chen G, Ng ACF, McInerney M, Wang W, Saunders J, Collins D, Yan D, Li P, Campbell M, Patil R, Ghoshal A, Mondal P, Kundu A, Chittimalla R, Mahadeva M, Kokkonda S, White J, Das R, Mukherjee P, Angulo-Barturen I, Jiménez-Díaz MB, Malmstrom R, Lawrenz M, Rodriguez-Granillo A, Rathod PK, Tomchick DR, Palmer MJ, Laleu B, Qin T, Charman SA, Phillips MA. Structure-Based Discovery and Development of Highly Potent Dihydroorotate Dehydrogenase Inhibitors for Malaria Chemoprevention. J Med Chem. 2024 Dec 22. doi: 10.1021/acs.jmedchem.4c02394. Epub ahead of print. PMID: 39710971.
