[CAS NO. 2375840-87-0] NDI-091143
PRODUCTS SPECIFICATIONS [2375840-87-0]
DESCRIPTION [2375840-87-0]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 453.84 |
| Molecular Formula | C20H14ClF2NO5S |
| SMILES | O=C(OC)C1=CC(S(=O)(NC2=CC(C3=CC=CC=C3)=C(F)C=C2F)=O)=C(O)C(Cl)=C1 |
1 Publications Citing Use of MCE
Summary
NDI-091143 is a potent and high-affinity human ATP-citrate lyase (ACLY) inhibitor with an IC 50 of 2.1 nM (ADP-Glo assay), a K i of 7.0 nM and a K d of 2.2 nM. NDI-091143 inhibits ACLY catalysis allosterically, by stabilizing large conformational changes in the citrate domain that indirectly block the binding and recognition of citrate [1] .
IC50 & Target
IC50: 2.1 nM (human ATP-citrate lyase); Ki: 7.0 nM (human ATP-citrate lyase); Kd: 2.2 nM (human ATP-citrate lyase) [1]
In Vitro
Thermal shift assays shows that NDI-091143 gives rise to considerable stabilization of both full-length ACLY and the N-terminal segment. The thermal shift data are consistent with limited proteolysis experiments using full-length ACLY, in which NDI-091143 together with Mg-ATP provided the greatest protection against digestion by chymotrypsin [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
| Powder | -20°C | 3 years |
|---|---|---|
| 4°C | 2 years | |
| In solvent | -80°C | 6 months |
| -20°C | 1 month |
Solvent & Solubility
DMSO : 100 mg/mL ( 220.34 mM ; ultrasonic and warming and heat to 60°C)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.2034 mL | 11.0171 mL | 22.0342 mL |
| 5 mM | 0.4407 mL | 2.2034 mL | 4.4068 mL |
| 10 mM | 0.2203 mL | 1.1017 mL | 2.2034 mL |