Introduction：Basic information about CAS 1469337-95-8|K-Ras(G12C) inhibitor 12, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | K-Ras(G12C) inhibitor 12 |
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| CAS Number | 1469337-95-8 | Molecular Weight | 449.671 |
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| Density | 1.736±0.06 g/cm3 | Boiling Point | 680.2±55.0 °C at 760 mmHg |
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| Molecular Formula | C15H17ClIN3O3 | Melting Point | / |
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| MSDS | / | Flash Point | 365.2±31.5 °C |
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Names
| Name | 1-[4-[2-(4-chloro-2-hydroxy-5-iodoanilino)acetyl]piperazin-1-yl]prop-2-en-1-one |
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| Synonym | More Synonyms |
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K-Ras(G12C) inhibitor 12 BiologicalActivity
| Description | K-Ras(G12C) inhibitor 12 is a K-Ras(G12C) inhibitor, the half-maximum effective concentration (EC50) for K-Ras(G12C) inhibitor 12 in H1792 cells is 0.32 μM.IC50 value: 0.32 μM (EC50)Target: K-RasBinding of K-Ras(G12C) inhibitor 12 to K-Ras(G12C) disrupts both switch-I and switch-II, subverting the native nucleotide preference to favour GDP over GTP and impairing binding to Raf. In the absence of K-Ras(G12C) inhibitor 12, K-Ras(G12C) shows a slight preference for GTP (relative affinity 0.6). |
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| Related Catalog | Signaling Pathways >>GPCR/G Protein >>RasResearch Areas >>Cancer |
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| References | [1]. Ostrem JM, et al. K-Ras(G12C) inhibitors allosterically control GTP affinity and effector interactions. Nature. 2013 Nov 28;503(7477):548-551. |
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Chemical & Physical Properties
| Density | 1.736±0.06 g/cm3 |
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| Boiling Point | 680.2±55.0 °C at 760 mmHg |
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| Molecular Formula | C15H17ClIN3O3 |
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| Molecular Weight | 449.671 |
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| Flash Point | 365.2±31.5 °C |
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| Exact Mass | 449.000305 |
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| PSA | 72.88000 |
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| LogP | 2.84 |
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| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
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| Index of Refraction | 1.674 |
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| InChIKey | JFIFBWVNHLXJFY-UHFFFAOYSA-N |
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| SMILES | C=CC(=O)N1CCN(C(=O)CNc2cc(I)c(Cl)cc2O)CC1 |
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| Water Solubility | Practically insoluble (0.01 g/L) (25 ºC) |
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Safety Information
Customs
| HS Code | 2933599090 |
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| Summary | 2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 1-(4-(2-((4-Chloro-2-hydroxy-5-iodophenyl)amino)acetyl)piperazin-1-yl)prop-2-en-1-one |
| 2-Propen-1-one, 1-[4-[2-[(4-chloro-2-hydroxy-5-iodophenyl)amino]acetyl]-1-piperazinyl]- |
| 1-(4-{[(4-Chloro-2-hydroxy-5-iodophenyl)amino]acetyl}-1-piperazinyl)-2-propen-1-one |
| K-Ras(G12C) inhibitor 12 |
| 1-[4-[2-[(4-Chloro-2-hydroxy-5-iodophenyl)amino]acetyl]-1-piperazinyl]-2-propen-1-one |
