1440898-82-7
1440898-82-7 structure
- Name: Deltarasin
- Chemical Name: 1-Benzyl-2-{4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl}-1H-benzimidazole hydrochloride (1:1)
- CAS Number: 1440898-82-7
- Molecular Formula: C40H38ClN5O
- Molecular Weight: 640.216
- Catalog: Signaling Pathways GPCR/G Protein Ras
- Create Date: 2018-04-10 08:05:15
- Modify Date: 2024-01-08 15:00:18
-
Deltarasin hydrochloride is an inhibitor of KRAS-PDEδinteraction with Kd of 38 nM for binding to purified PDEδ.
| Name | 1-Benzyl-2-{4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl}-1H-benzimidazole hydrochloride (1:1) |
|---|---|
| Synonyms |
1H-Benzimidazole, 2-phenyl-1-[(1S)-2-[4-[1-(phenylmethyl)-1H-benzimidazol-2-yl]phenoxy]-1-(4-piperidinyl)ethyl]-, hydrochloride (1:1)
1-Benzyl-2-{4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl}-1H-benzimidazole hydrochloride (1:1) Deltarasin (hydrochloride) |
| Description | Deltarasin hydrochloride is an inhibitor of KRAS-PDEδinteraction with Kd of 38 nM for binding to purified PDEδ. |
|---|---|
| Related Catalog | |
| Target |
Kd: 38 nM (PDEδ) |
| In Vitro | In liver cells, deltarasin inhibits the interaction of RAS with PDEδ with KD of 41 nM. Inhibition of PDEδ-KRAS interaction by deltarasin suppresses proliferation of human pancreatic ductal adenocarcinoma cells that are dependent on oncogenic KRAS[1]. |
| In Vivo | Deltarasin (10 mg/kg, i.p.) impairs dose-dependent tumor growth in nude mice bearing subcutaneous human Panc-Tu-I tumour cell xenografts[1]. |
| Kinase Assay | KD values are measured by fluorescence polarization measurements. For direct titrations, increasing amounts of PDEδ are added to a solution containing 50-100 nM labelled small molecule in 200 µL PBS buffer. For displacement titrations, increasing amounts of the small molecules in DMSO are directly added to fluorescein-labelled atorvastatin (24 nM) and His6-tagged PDEδ (40 nM) in 200 µL PBS-buffer (containing 0.05% CHAPS, 1% DMSO), keeping the concentration of fluorescein-labelled atorvastatin, PDEδ and DMSO constant. For KD measurements using isothermal titration calorimetry, PDEδ protein (280 µM) is titrated to small molecule (30 µM) in Tris/HCl buffer (temperature 25°C). In the Tm shift assays, protein melting points are detected by circular dichroism spectroscopy in the presence of small molecules. |
| References |
| Molecular Formula | C40H38ClN5O |
|---|---|
| Molecular Weight | 640.216 |
| Exact Mass | 639.276489 |