N,O-Didansyl-L-tyrosine cyclohexylammonium salt
N,O-Didansyl-L-tyrosine cyclohexylammonium salt structure
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Common Name | N,O-Didansyl-L-tyrosine cyclohexylammonium salt | ||
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| CAS Number | 102783-47-1 | Molecular Weight | 746.93500 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C39H46N4O7S2 | Melting Point | N/A | |
| MSDS | USA | Flash Point | N/A | |
Use of N,O-Didansyl-L-tyrosine cyclohexylammonium saltN,O-Didansyl-L-tyrosine cyclohexylammonium is a potent selective thymidylate synthase (TS) inhibitor，acts on TS of Escherichia coli, Lactobacillus casei and human with the IC50 values of 5.0, 3.4 and 119 μM, respectively[1]. |
| Name | N,O-Didansyl-L-tyrosine cyclohexylammonium salt |
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| Synonym | More Synonyms |
| Description | N,O-Didansyl-L-tyrosine cyclohexylammonium is a potent selective thymidylate synthase (TS) inhibitor，acts on TS of Escherichia coli, Lactobacillus casei and human with the IC50 values of 5.0, 3.4 and 119 μM, respectively[1]. |
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| Related Catalog | |
| Target |
IC50: 3.4 μM (LcTS)，5.0 μM (EcTS), 119 μM (hTS)[1]. |
| References |
| Molecular Formula | C39H46N4O7S2 |
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| Molecular Weight | 746.93500 |
| Exact Mass | 746.28100 |
| PSA | 176.10000 |
| LogP | 9.39750 |
| RIDADR | NONH for all modes of transport |
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| WGK Germany | 3 |
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Predicting and harnessing protein flexibility in the design of species-specific inhibitors of thymidylate synthase.
Chem. Biol. 8 , 981-995, (2001) Protein plasticity in response to ligand binding abrogates the notion of a rigid receptor site. Thus, computational docking alone misses important prospective drug design leads. Bacterial-specific inh... |
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Improving specificity vs bacterial thymidylate synthases through N-dansyl modulation of didansyltyrosine.
J. Med. Chem. 48 , 913-916, (2005) N,O-Didansyl-L-tyrosine (DDT) represented the starting lead for further development of novel non-substrate-like inhibitors of bacterial thymidylate synthase. The N-dansyl structure modulation led to a... |
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Constrained dansyl derivatives reveal bacterial specificity of highly conserved thymidylate synthases.
ChemBioChem. 9 , 779-790, (2008) The elucidation of the structural/functional specificities of highly conserved enzymes remains a challenging area of investigation, and enzymes involved in cellular replication are important targets f... |
| cyclohexanamine,(2S)-2-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonyloxyphenyl]propanoic acid |