Synonym
SMI481; SMI-481 SMI 481; NPPM 6748-481; NPPM 6748481; NPPM6748481; NPPM-6748-481;
IUPAC/Chemical Name
(4-chloro-3-nitrophenyl)(4-(2-fluorophenyl)piperazin-1-yl)methanone
InChi Key
LSPJXCGEFJDMHA-UHFFFAOYSA-N
InChi Code
InChI=1S/C17H15ClFN3O3/c18-13-6-5-12(11-16(13)22(24)25)17(23)21-9-7-20(8-10-21)15-4-2-1-3-14(15)19/h1-6,11H,7-10H2
SMILES Code
O=C(C1=CC=C(Cl)C([N+]([O-])=O)=C1)N2CCN(C3=CC=CC=C3F)CC2
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
Biological target:
SMI481 is a selective inhibitor of the yeast PITP Sec14.
|
Solvent |
mg/mL |
mM |
comments |
| Solubility |
| DMF |
50.0 |
137.45 |
|
| DMSO |
30.0 |
82.47 |
|
| Ethanol |
0.3 |
0.82 |
|
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
363.77
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: Nile AH, Tripathi A, Yuan P, Mousley CJ, Suresh S, Wallace IM, Shah SD, Pohlhaus DT, Temple B, Nislow C, Giaever G, Tropsha A, Davis RW, St Onge RP, Bankaitis VA. PITPs as targets for selectively interfering with phosphoinositide signaling in cells. Nat Chem Biol. 2014 Jan;10(1):76-84. doi: 10.1038/nchembio.1389. Epub 2013 Nov 24. PubMed PMID: 24292071; PubMed Central PMCID: PMC4059020.
2: Kutryb-Zajac, B., Mierzejewska, P., Sucajtys-Szulc, E., Bulinska, A., Zabielska, M. A., Jablonska, P., ... & Smolenski, R. T. (2019). Inhibition of LPS-stimulated ecto-adenosine deaminase attenuates endothelial cell activation. Journal of Molecular and Cellular Cardiology, 128, 62-76.
