Introduction：Basic information about CAS 6381-55-1|KKII5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | KKII5 |
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| CAS Number | 6381-55-1 | Molecular Weight | 266.36 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C16H14N2S | Melting Point | 181-183ºC |
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| MSDS | / | Flash Point | / |
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Names
| Name | 4,6-diphenyl-3,4-dihydro-1H-pyrimidine-2-thione |
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| Synonym | More Synonyms |
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KKII5 BiologicalActivity
| Description | KKII5 is a potent Lipoxygenase (LOX-1) inhibitor with an IC50 of 19 μM. KKII5 inhibits lipid peroxidation[1]. |
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| Related Catalog | Research Areas >>Inflammation/ImmunologySignaling Pathways >>Metabolic Enzyme/Protease >>5-Lipoxygenase |
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| Target | IC50: 19 μM (LOX-1)[1] |
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| In Vitro | KKII5 与腔体的 HIS499 相互作用，通过在分子的苯环和 HIS499 的咪唑环之间形成一个 π-π 堆叠相互作用[1]。 KKII5 (100 μM) 对脂质过氧化有明显抑制作用，抑制率达 98% [1]。 |
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| References | [1]. Georgiou N, et al. Thiocarbohydrazone and Chalcone-Derived 3,4-Dihydropyrimidinethione as Lipid Peroxidation and Soybean Lipoxygenase Inhibitors. ACS Omega. 2023 Mar 21;8(13):11966-11977. |
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Chemical & Physical Properties
| Melting Point | 181-183ºC |
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| Molecular Formula | C16H14N2S |
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| Molecular Weight | 266.36 |
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| Exact Mass | 266.08800 |
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| PSA | 56.15000 |
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| LogP | 3.90410 |
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| InChIKey | HFRXOUDZIXBXEH-UHFFFAOYSA-N |
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| SMILES | S=C1NC(c2ccccc2)=CC(c2ccccc2)N1 |
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Safety Information
| Risk Phrases | 36/37/38 |
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| Safety Phrases | 26-36/37/39 |
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Synonyms
| 4,6-diphenyl-1,2,3,4-tetrahydropyrimidine-2-thione |
| HMS558F13 |
| HMS2663P05 |
