[CAS NO. 1204975-42-7] LEQ506
PRODUCTS SPECIFICATIONS [1204975-42-7]
DESCRIPTION [1204975-42-7]
Overview
| MDL | MFCD27987902 |
|---|---|
| Molecular Weight | 432.56 |
| Molecular Formula | C25H32N6O |
| SMILES | OC(C)(C)C1=NC=C(N2[C@H](C)CN(C3=NN=C(CC4=CC=CC=C4)C(C)=C3C)CC2)N=C1 |
Summary
LEQ506 is a second-generation inhibitor of smoothened ( Smo ) with IC 50 s of 2 and 4 nM in human and mouse, respectively.
IC50 & Target
IC50: 2 nM (human smo), 4 nM (mouse smo) [1]
In Vitro
LEQ506 is a second-generation inhibitor of smoothened (Smo) with IC 50 s of 2 and 4 nM in human and mouse, respectively. LEQ506 inhibits Hedgehog (Hh) signaling in a human cell line (HEPM) as measured by the amount of Gli mRNA with an IC 50 ~6-fold lower than that of Compound 2 [1] . LEQ506 is an efficacious compound by consistently decreasing Gli1 mRNA by about 70 to 80%. LEQ506 shows a tendency to preferentially inhibit Gli1 rather than Ptch1 mRNA. LEQ506 (at 1%) is also an efficacious compound with an inhibition of 80 to 90% for Gli1 and of 60 to 70% for Ptch1 [2] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date | Phase |
|---|---|---|---|---|
| NCT01106508 | Novartis Pharmaceuticals|Novartis |
Advanced Solid Tumors|Recurrent or Refractory Medulloblastoma|Locally Advanced or Metastatic Basal Cell Carcinoma
|
October 2010 | Phase 1 |
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 ( 231.18 mM )
* "≥" means soluble, but saturation unknown.
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 2.3118 mL | 11.5591 mL | 23.1182 mL |
| 5 mM | 0.4624 mL | 2.3118 mL | 4.6236 mL |
| 10 mM | 0.2312 mL | 1.1559 mL | 2.3118 mL |
References
- [1] Peukert S, et al. Discovery of NVP-LEQ506, a second-generation inhibitor of smoothened. ChemMedChem. 2013 Aug;8(8):1261-5.
- [2] Lauressergues E, et al. Pharmacological evaluation of a series of smoothened antagonists in signaling pathways and after topical application in a depilated mouse model. Pharmacol Res Perspect. 2016 Mar 4;4(2):e00214.