Synonym
NPD-340; NPD 340; NPD340.
IUPAC/Chemical Name
5-(3-(4-(4-(2H-tetrazol-5-yl)phenoxy)butoxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one
InChi Key
LSMMVMRAIOYJHV-UHFFFAOYSA-N
InChi Code
InChI=1S/C26H32N6O4/c1-17(2)32-25(33)26(3,4)23(29-32)19-10-13-21(34-5)22(16-19)36-15-7-6-14-35-20-11-8-18(9-12-20)24-27-30-31-28-24/h8-13,16-17H,6-7,14-15H2,1-5H3,(H,27,28,30,31)
SMILES Code
COC1=CC=C(C2=NN(C(C)C)C(C2(C)C)=O)C=C1OCCCCOC3=CC=C(C4=NNN=N4)C=C3
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
>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
492.58
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 |
Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity
Antoni R. Blaazer, Abhimanyu K. Singh, Erik de Heuvel, Ewald Edink, Kristina M. Orrling, Johan J. N. Veerman, Toine van den Bergh, Chimed Jansen, Erin Balasubramaniam, Wouter J. Mooij, Hans Custers, Maarten Sijm, Daniel N. A. Tagoe, Titilola D. Kalejaiye, Jane C. Munday, Hermann Tenor, An Matheeussen, Maikel Wijtmans, Marco Siderius, Chris de Graaf, Louis Maes, Harry P. de Koning, David S. Bailey, Geert Jan Sterk, Iwan J. P. de Esch, David G. Brown, and Rob Leurs
Publication Date (Web): April 19, 2018 (Article)
DOI: 10.1021/acs.jmedchem.7b01670
