Introduction：Basic information about CAS 1258861-20-9|LY2940680, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | LY2940680 |
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| CAS Number | 1258861-20-9 | Molecular Weight | 512.502 |
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| Density | 1.4±0.1 g/cm3 | Boiling Point | 703.5±60.0 °C at 760 mmHg |
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| Molecular Formula | C26H24F4N6O | Melting Point | / |
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| MSDS | / | Flash Point | 379.3±32.9 °C |
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Names
| Name | 4-fluoro-N-methyl-N-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]-2-(trifluoromethyl)benzamide |
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| Synonym | More Synonyms |
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LY2940680 BiologicalActivity
| Description | Taladegib (LY2940680) is an antagonist of the smoothened receptor. |
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| Related Catalog | Signaling Pathways >>Stem Cell/Wnt >>SmoResearch Areas >>Cancer |
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| Target | Smo[1] |
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| In Vitro | Taladegib, a small-molecule antagonist of the smoothened receptor, shows a slight inhibitory effect on cell proliferation without differences between mucin- (IC50: Taladegib=49.8±4.5 μM) and mixed- Cholangiocarcinoma (CCA) (IC50: Taladegib=61.2±21.1 μM)[1]. The IC50 for Taladegib inhibition of [3H]MRT-92 binding is right shifted (3- to 100-fold) for the S387AECL2, L325F3.36f, and D473H6.54f mutants but did not differ from that of WT receptor for the other mutants. The ability of SANT-1 to inhibit [3H]MRT-92 binding to V329F3.40f and T466F6.47f mutants is abolished, and it is severely impaired for L325F3.40f, I408F5.51f, and M525G7.45f mutants (4- to 140-fold drop of the IC50), but is not modified for the S387AECL2 mutant. Taken together, these data confirm our docking hypothesis that MRT-92-binding mode differs from that of either Taladegib or SANT-1 by simultaneously occupying binding sites 1 and 2[2]. |
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| References | [1]. Fraveto A, et al, Sensitivity of Human Intrahepatic Cholangiocarcinoma Subtypes to Chemotherapeutics and Molecular Targeted Agents: A Study on Primary Cell Cultures. PLoS One. 2015 Nov 16;10(11):e0142124. [2]. Hoch L, et al. MRT-92 inhibits Hedgehog signaling by blocking overlapping binding sites in the transmembrane domain of the Smoothened receptor. FASEB J. 2015 May;29(5):1817-29. [3]. Ma W, et al. Reduced Smoothened level rescued Aβ-induced memory deficits and neuronal inflammation in animal models of Alzheimer's disease. J Genet Genomics. 2018 May 20;45(5):237-246. |
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Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
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| Boiling Point | 703.5±60.0 °C at 760 mmHg |
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| Molecular Formula | C26H24F4N6O |
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| Molecular Weight | 512.502 |
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| Flash Point | 379.3±32.9 °C |
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| Exact Mass | 512.194763 |
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| PSA | 67.15000 |
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| LogP | 2.70 |
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| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
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| Index of Refraction | 1.634 |
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| Storage condition | -20°C |
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Safety Information
Synonyms
| Taladegib |
| 4-Fluoro-N-methyl-N-{1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl}-2-(trifluoromethyl)benzamide |
| LY 2940680 |
| LY2940680 |
| 4-fluoro-N-methyl-N-(1-(4-(1-methyl-1H-pyrazol-5-yl)phthalazin-1-yl)piperidin-4-yl)-2-(trifluoromethyl)benzamide |
| Benzamide, 4-fluoro-N-methyl-N-[1-[4-(1-methyl-1H-pyrazol-5-yl)-1-phthalazinyl]-4-piperidinyl]-2-(trifluoromethyl)- |
