1440898-61-2
1440898-61-2 structure
- Name: Deltarasin
- Chemical Name: 1H-Benzimidazole, 2-[4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)-
- CAS Number: 1440898-61-2
- Molecular Formula: C40H37N5O
- Molecular Weight: 603.755
- Catalog: Biochemical Inhibitor Metabolism PDE inhibitor
- Create Date: 2018-12-16 20:31:51
- Modify Date: 2024-01-02 18:43:05
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Deltarasin is an inhibitor of KRAS-PDEδ interaction with Kd of 38 nM for binding to purified PDEδ.
| Name | 1H-Benzimidazole, 2-[4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl]-1-(phenylmethyl)- |
|---|---|
| Synonyms |
1H-Benzimidazole, 2-phenyl-1-[(1S)-2-[4-[1-(phenylmethyl)-1H-benzimidazol-2-yl]phenoxy]-1-(4-piperidinyl)ethyl]-
1-Benzyl-2-{4-[(2S)-2-(2-phenyl-1H-benzimidazol-1-yl)-2-(4-piperidinyl)ethoxy]phenyl}-1H-benzimidazole Deltarasin |
| Description | Deltarasin is an inhibitor of KRAS-PDEδ interaction 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 |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 824.3±75.0 °C at 760 mmHg |
| Molecular Formula | C40H37N5O |
| Molecular Weight | 603.755 |
| Flash Point | 452.3±37.1 °C |
| Exact Mass | 603.299805 |
| PSA | 56.90000 |
| LogP | 9.79 |
| Vapour Pressure | 0.0±3.0 mmHg at 25°C |
| Index of Refraction | 1.680 |
| Storage condition | -20℃ |