Introduction：Basic information about CAS 897016-82-9|KX2-391, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | KX2-391 |
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| CAS Number | 897016-82-9 | Molecular Weight | 431.527 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 680.9±55.0 °C at 760 mmHg |
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| Molecular Formula | C26H29N3O3 | Melting Point | / |
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| MSDS | / | Flash Point | 365.6±31.5 °C |
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Names
| Name | N-benzyl-2-[5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl]acetamide |
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| Synonym | More Synonyms |
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KX2-391 BiologicalActivity
| Description | KX2-391 is an inhibitor of Src that targets the peptide substrate site of Src, with GI50 of 9-60 nM in cancer cell lines. |
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| Related Catalog | Signaling Pathways >>Cell Cycle/DNA Damage >>Microtubule/TubulinSignaling Pathways >>Cytoskeleton >>Microtubule/TubulinSignaling Pathways >>Protein Tyrosine Kinase/RTK >>SrcResearch Areas >>Cancer |
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| Target | GI50: 9 nM (Src, in HuH7 cells), 13 nM (Src, in PLC/PRF/5 cells), 26 nM (Src, in Hep3B cells), 60 nM (Src, in HepG2 cells)[1] |
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| In Vitro | KX2-391 is a Src inhibitor that is directed to the Src substrate pocket. KX2-391 shows steep dose-response curves against Huh7 (GI50=9 nM), PLC/PRF/5 (GI50=13 nM), Hep3B (GI50=26 nM), and HepG2 (GI50=60 nM), four hepatic cell cancer (HCC) cell lines[1]. KX2-391 is found to inhibit certain leukemia cells that are resistant to current commercially available drugs, such as those derived from chronic leukemia cells with the T3151 mutation. KX2-391 is evaluated in engineered Src driven cell growth assays inNIH3T3/c-Src527F and SYF/c-Src527F cells and exhibits GI50 with 23 nM and 39 nM, respectively[2]. |
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| In Vivo | Orally administered KX2-391 is shown to inhibit primary tumor growth and to suppress metastasis, in pre-clinical animal models of cancer[2]. |
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| Cell Assay | Liver cell lines including Huh7, PLC/PRF/5, Hep3B, and HepG2 are routinely cultured and maintained in basal medium containing 2% fetal bovine serum (FBS) at 37°C and 5% CO2. Cells are seeded at 4.0×103/190 μL and 8.0×103/190 μL per well of 96-well plate in basal medium containing 1.5% FBS. These are cultured overnight at 37°C and 5% CO2 prior to the addition of KX2-391, at concentrations ranging from 6,564 to 0.012 nM in triplicates. Treated cells are incubated for 3 days. Ten μLs of 3-(4,5-dimethylthiazol- 2-yl)-2,5-diphenyltetrazolium bromide (MTT) solution (5 mg/mL) is then added to each well on day 3 and cells incubated for 4 hours. The formazan product is dissolved with 10% SDS in dilute HCl. Optical density at 570 nm is measured. For comparison of activity and potency, parallel experiments are performed using KX2-391. Growth inhibition curves, 50% inhibition concentration (GI50), and 80% inhibition concentration (GI80) are determined using GraphPad Prism 5 statistical software. Data are normalized to represent percentage of maximum response as well as reported in optical density at wavelength of 570 nm (OD570) signal format[1]. |
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| References | [1]. Lau GM, et al. Expression of Src and FAK in hepatocellular carcinoma and the effect of Src inhibitors on hepatocellular carcinoma in vitro. Dig Dis Sci, 2009, 54(7), 1465-1474. [2]. Fallah-Tafti A, et al. Thiazolyl N-benzyl-substituted acetamide derivatives: synthesis, Src kinase inhibitory and anticancer activities. Eur J Med Chem, 2011, 46(10), 4853-4858. |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 680.9±55.0 °C at 760 mmHg |
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| Molecular Formula | C26H29N3O3 |
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| Molecular Weight | 431.527 |
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| Flash Point | 365.6±31.5 °C |
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| Exact Mass | 431.220886 |
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| PSA | 67.18000 |
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| LogP | 1.97 |
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| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
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| Index of Refraction | 1.588 |
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| InChIKey | HUNGUWOZPQBXGX-UHFFFAOYSA-N |
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| SMILES | O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1 |
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| Storage condition | -20℃ |
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Safety Information
Synonyms
| KX2-391 |
| N-Benzyl-2-(5-{4-[2-(4-morpholinyl)ethoxy]phenyl}-2-pyridinyl)acetamide |
| N-benzyl-2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)acetamide |
| pound not KX2391 pound not KX2 391 |
| UNII-4V9848RS5G |
| 2-(5-(4-(2-morpholinoethoxy)phenyl)pyridin-2-yl)-N-benzylacetamide |
| 2-Pyridineacetamide, 5-[4-[2-(4-morpholinyl)ethoxy]phenyl]-N-(phenylmethyl)- |
| N-benzyl-2-{5-[4-(2-morpholin-4-ylethoxy)phenyl]pyridin-2-yl}acetamide |
| cc-266 |
| KX01 |
