CAS 1453848-26-4|Ravoxertinib
Introduction：Basic information about CAS 1453848-26-4|Ravoxertinib, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Ravoxertinib | ||
|---|---|---|---|
| CAS Number | 1453848-26-4 | Molecular Weight | 440.858 |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 734.6±70.0 °C at 760 mmHg |
| Molecular Formula | C21H18ClFN6O2 | Melting Point | / |
| MSDS | / | Flash Point | 398.0±35.7 °C |
Names
| Name | (S)-1-(1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one |
|---|---|
| Synonym | More Synonyms |
Ravoxertinib BiologicalActivity
| Description | Ravoxertinib (GDC-0994) is an orally bioavailable ERK kinase inhibitor with an IC50 of 6.1 nM and 3.1 nM for ERK1 and ERK2, respectively. |
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| Related Catalog | Signaling Pathways >>MAPK/ERK Pathway >>ERKSignaling Pathways >>Stem Cell/Wnt >>ERKResearch Areas >>Cancer |
| Target | ERK1:6.1 nM (IC50) ERK2:3.1 nM (IC50) p-RSK:12 nM (IC50) |
| In Vitro | Ravoxertinib (GDC-0994) also inhibits p90RSK with IC50 of 12 nM[1]. Ravoxertinib (GDC-0994) is highly selective for ERK1 and ERK2, with biochemical potency of 1.1 nM and 0.3 nM, respectively[2]. |
| In Vivo | In CD-1 mice, a 10 mg/kg oral dose of Ravoxertinib (GDC-0994) is sufficient to achieve the desired target coverage for at least 8 h[1]. Daily, oral dosing of Ravoxertinib results in significant single-agent activity in multiple in vivo cancer models, including KRAS-mutant and BRAF-mutant human xenograft tumors in mice[2]. |
| Animal Admin | Mice[1] PK/PD data for Ravoxertinib (GDC-0994) in the HCT116 mouse xenograft model. HCT116 tumors are established in nude mice to a tumor volume of 400-600 mm3. Mice are treated with a single oral dose of 22 at 15, 30, or 100 mg/kg versus vehicle control alone (40% PEG400/60% (10% HPβCD)) follow by tumor and plasma collection at 2, 8, 16, and 24 h postdose. Tumor levels of phosphorylated p90RSK (pRSK) relative total p90RSK (tRSK) are measured by quantitative Western blot and are normalized to vehicle control at 2 h postdose (set to 100%). Plasma and tumor concentrations are measured by LC−MS. |
| References | [1]. Blake JF, et al. Discovery of (S)-1-(1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl)-4-(2-((1-methyl-1H-pyrazol-5-yl)amino)pyrimidin-4-yl)pyridin-2(1H)-one (GDC-0994), an Extracellular Signal-Regulated Kinase 1/2 (ERK1/2) Inhibitor in Early Clinical Developme [2]. Kirk Robarge, et al. Abstract DDT02-03: Discovery of GDC-0994, a potent and selective ERK1/2 inhibitor in early clinical development. Proceedings: AACR Annual Meeting 2014; April 5-9, 2014. [3]. Huang X, et al. Targeting Epigenetic Crosstalk as a Therapeutic Strategy for EZH2-Aberrant Solid Tumors. Cell. 2018 Sep 20;175(1):186-199.e19. |
Chemical & Physical Properties
| Density | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 734.6±70.0 °C at 760 mmHg |
| Molecular Formula | C21H18ClFN6O2 |
| Molecular Weight | 440.858 |
| Flash Point | 398.0±35.7 °C |
| Exact Mass | 440.116394 |
| PSA | 97.86000 |
| LogP | 2.18 |
| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
| Index of Refraction | 1.687 |
| InChIKey | RZUOCXOYPYGSKL-GOSISDBHSA-N |
| SMILES | Cn1nccc1Nc1nccc(-c2ccn(C(CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 |
| Storage condition | -20℃ |
Synonyms
| gdc-0994 |
| gdc0994 |
| 1-[(1S)-1-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-4-{2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl}-2(1H)-pyridinone |
| 2(1H)-Pyridinone, 1-[(1S)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-4-[2-[(1-methyl-1H-pyrazol-5-yl)amino]-4-pyrimidinyl]- |
