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Ac-WEHD-AFC | 210344-99-3
| Catelog Number | A18-0009 |
| Category | Fluorescent Enzyme Substrates |
| Molecular Formula | C38H37F3N8O11 |
| Molecular Weight | 838.7 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| A18-0009 | 50 mg | $498 | |
| A18-0009 | 1 g | $1998 |
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Product Introduction
Ac-WEHD-AFC is a fluorogenic substrate for group I caspases including caspase-1, -4, and -5. Caspase activity can be quantified by fluorescent detection of free AFC (7-amino-4-trifluoromethylcoumarin), which is excited at 400 nm and emits at 505 nm.
Chemical Information |
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|---|---|
| Synonyms | Caspase 1 (ICE) Substrate 3f; fluorogenic, Ac-WEHD-AFC; N-Acetyl-L-tryptophyl-L-alpha-glutamyl-L-histidyl-N-[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]-L-alpha-asparagine; N-Acetyl-Trp-Glu-His-Asp-7-amido-4-trifluoromethylcoumarin trifluoroacetate salt |
| Purity | ≥97% by HPLC |
| IUPAC Name | (4S)-4-[[(2S)-2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-5-[[(2S)-1-[[(2S)-3-carboxy-1-oxo-1-[[2-oxo-4-(trifluoromethyl)chromen-7-yl]amino]propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| Canonical SMILES | CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC(=O)O)C(=O)NC4=CC5=C(C=C4)C(=CC(=O)O5)C(F)(F)F |
| InChI | InChI=1S/C38H37F3N8O11/c1-18(50)45-27(10-19-15-43-25-5-3-2-4-22(19)25)36(58)47-26(8-9-31(51)52)34(56)48-28(11-21-16-42-17-44-21)37(59)49-29(14-32(53)54)35(57)46-20-6-7-23-24(38(39,40)41)13-33(55)60-30(23)12-20/h2-7,12-13,15-17,26-29,43H,8-11,14H2,1H3,(H,42,44)(H,45,50)(H,46,57)(H,47,58)(H,48,56)(H,49,59)(H,51,52)(H,53,54)/t26-,27-,28-,29-/m0/s1 |
| InChI Key | NEGOLAGPKZGIKJ-DZUOILHNSA-N |
| Density | 1.528±0.06 g/cm3(Predicted) |
| Appearance | White to yellow Solid |
| Boiling Point | 1351.5±65.0°C(Predicted) |
Product Specification |
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|---|---|
| Excitation | 400 nm |
| Emission | 505 nm |
| Storage | Store at -20°C |
Computed Properties | |
|---|---|
| XLogP3 | 0.6 |
| Hydrogen Bond Donor Count | 9 |
| Hydrogen Bond Acceptor Count | 15 |
| Rotatable Bond Count | 18 |
| Exact Mass | 838.25338851 g/mol |
| Monoisotopic Mass | 838.25338851 g/mol |
| Topological Polar Surface Area | 291Ų |
| Heavy Atom Count | 60 |
| Formal Charge | 0 |
| Complexity | 1680 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| EP-3884941-A1 | Inflammasome inhibitors and use thereof | 2020-03-26 |
| US-2019038602-A1 | Granzyme b inhibitor formulations and methods for the treatment of burns | 2016-02-03 |
| US-10537652-B2 | Cyclic urea compounds as granzyme B inhibitors | 2014-08-01 |
| US-2017015705-A1 | Pyrrole compounds as granzyme b inhibitors | 2014-08-01 |
| US-2020062803-A1 | Azaindoline compounds as granzyme b inhibitors | 2014-08-01 |
Applications of Fluorescent Probes & Dyes
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