CAS 1224844-38-5|Sapanisertib (MLN0128)
Introduction：Basic information about CAS 1224844-38-5|Sapanisertib (MLN0128), including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Sapanisertib (MLN0128) | ||
|---|---|---|---|
| CAS Number | 1224844-38-5 | Molecular Weight | 309.326 |
| Density | 1.6±0.1 g/cm3 | Boiling Point | 598.8±60.0 °C at 760 mmHg |
| Molecular Formula | C15H15N7O | Melting Point | / |
| MSDS | / | Flash Point | 315.9±32.9 °C |
Names
| Name | 5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine |
|---|---|
| Synonym | More Synonyms |
Sapanisertib (MLN0128) BiologicalActivity
| Description | Sapanisertib (INK-128) is a ATP-dependent mTOR1/2 inhibitor with an IC50 of 1 nM for mTOR kinase. |
|---|---|
| Related Catalog | Signaling Pathways >>Autophagy >>AutophagySignaling Pathways >>PI3K/Akt/mTOR >>mTORResearch Areas >>Cancer |
| Target | mTOR:1 nM (IC50) mTORC1 mTORC2 PI3Kα:219 nM (IC50) PI3Kβ:5.293 μM (IC50) PI3Kδ:230 nM (IC50) PI3Kγ:221 nM (IC50) Autophagy |
| In Vitro | Sapanisertib (INK-128) exhibits an enzymatic inhibition activity against mTOR and more than 100-fold selectivity to PI3K kinases[1]. Sapanisertib (INK-128) selectively decreases the expression of YB1, MTA1, vimentin and CD44 at the protein but not transcript level in PC3 cells. Sapanisertib (INK-128) decreases the invasive potential of PC3 prostate cancer cells. Furthermore, Sapanisertib (INK-128) inhibits cancer cell migration starting at 6 h of treatment, precisely correlating with when decreases in the expression of pro-invasion genes are evident, but preceding any changes in the cell cycle or overall global protein synthesis[2]. |
| In Vivo | In a ZR-75-1 breast cancer xenograft model, Sapanisertib (INK-128) shows tumor growth inhibition efficacy at a dose of 0.3 mg/kg/day[1]. 4EBP1 and p70S6K1/2 phosphorylation is completely restored to wild-type levels after treatment with INK128 in PtenL/L mice. Sapanisertib (INK-128) treatment results in a 50% decrease in prostatic intraepithelial neoplasia (PIN) lesions in PtenL/L mice and induces programmed cell death in multiple cancer cell lines in mice[2]. |
| Cell Assay | PC3 cells are treated with the appropriate drug for 48 h, and proliferation is measured using CellTiter-Glo Luminescent reagent. The concentration of Sapanisertib (INK-128) necessary to achieve inhibition of cell growth by 50% (IC50) is calculated using concentrations ranging from 20.0 μM to 0.1 nM (12-point curve). |
| Animal Admin | Nude mice are inoculated subcutaneously in the right subscapular region with 5×106 MDA-MB-361 cells. After tumours reach a size of 150-200 mm3, mice are randomLy assigned into vehicle control or treatment groups. Sapanisertib (INK-128) is formulated in 5% polyvinylpropyline, 15% NMP, 80% water and administered by oral gavage at 0.3 mg/kg and 1 mg/kg daily. |
| References | [1]. Liu A, et al. mTOR Mediated Anti-Cancer Drug Discovery. Drug Discovery Today: Therapeutic Strategies. 2009, 6(2), 47-55. [2]. Hsieh AC, et al. The translational landscape of mTOR signalling steers cancer initiation and metastasis. Nature. 2012 Feb 22;485(7396):55-61. |
Chemical & Physical Properties
| Density | 1.6±0.1 g/cm3 |
|---|---|
| Boiling Point | 598.8±60.0 °C at 760 mmHg |
| Molecular Formula | C15H15N7O |
| Molecular Weight | 309.326 |
| Flash Point | 315.9±32.9 °C |
| Exact Mass | 309.133820 |
| PSA | 121.67000 |
| LogP | 1.95 |
| Vapour Pressure | 0.0±1.7 mmHg at 25°C |
| Index of Refraction | 1.829 |
| InChIKey | GYLDXIAOMVERTK-UHFFFAOYSA-N |
| SMILES | CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21 |
| Storage condition | -20°C |
Synonyms
| cs-0557 |
| 2-Benzoxazolamine, 5-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]- |
| UNII-JGH0DF1U03 |
| 3-(2-Amino-1,3-benzoxazol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine |
| Sapanisertib |
| ink-128/ink128 |
| MLN-0128 |
| ink 128 |
| UNII:JGH0DF1U03 |
| INK-128 |
