Introduction：Basic information about CAS 544678-85-5|DB04760, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | DB04760 |
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| CAS Number | 544678-85-5 | Molecular Weight | 410.41700 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C22H20F2N4O2 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | pyrimidine-4,6-dicarboxylic acid bis-(4-fluoro-3-methyl-benzylamide) |
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| Synonym | More Synonyms |
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DB04760 BiologicalActivity
| Description | DB04760 (compound 4) is a potent, highly selective, non-zinc-chelating MMP-13 inhibitor with an IC50 of 8 nM[1]. DB04760 significantly reduces paclitaxel neurotoxicity and has anticancer activity[2]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Metabolic Enzyme/Protease >>MMPResearch Areas >>Neurological Disease |
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| Target | MMP-13:8 nM (IC50) |
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| References | [1]. Engel CK, et al. Structural basis for the highly selective inhibition of MMP-13. Chem Biol. 2005 Feb;12(2):181-9. [2]. Thomas S. Lisse, et al. Paclitaxel-induced epithelial damage and ectopic MMP-13 expression promotes neurotoxicity in zebrafish. Proc Natl Acad Sci U S A. 2016 Apr 12; 113(15): E2189–E2198. |
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Chemical & Physical Properties
| Molecular Formula | C22H20F2N4O2 |
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| Molecular Weight | 410.41700 |
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| Exact Mass | 410.15500 |
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| PSA | 83.98000 |
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| LogP | 4.01340 |
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| InChIKey | PYFRREJCFXFNRR-UHFFFAOYSA-N |
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| SMILES | Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(C)c3)ncn2)ccc1F |
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Synonyms
| MMP-13 INHIBITOR |
| N4,N6-Bis(4-fluoro-3-methylbenzyl)pyrimidine-4,6-dicarboxamide |
