for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
TX-1123 may be useful as a therapeutic agent for cancer treatment in animal models. A cell-permeable, reversible and substrate-competitive arylidene-cyclopentenedione derived tyrphostin that acts as a kinase inhibitor for proto-oncogene tyrosine-protein kinase Src (c-Src, IC|50|= 2.2 μM), eukaryotic elongation factor-2 kinase (eEF2-K, IC|50|= 3.2 μM), and protein kinase A (PKA, IC|50|= 9.6 μM). TX-1123 has been shown to inhibit EGFR-K and PKC, but only at much higher concentrations (IC|50|= 320 μM).|Additionally, TX-1123 has been reported to exhibit potent anti-tumor activity in HepG2(EC|50|= 3.66) and HCT116 (EC|50|= 39 μM) tumor cells, with greatly reduced mitochondrial- (≥1000-fold) and hepato-toxicity (≥50-fold) when compared with another tyrphostin, AG 17 .
| pKa | pKₐ: 10.04 (Predicted) |
|---|
| Canonical Smiles | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)C=CC2=O |
|---|---|
| IUPAC Name | 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclopent-4-ene-1,3-dione |
| InChIKey | VUEUMQIBGLKJJD-UHFFFAOYSA-N |
| INCHI | 1S/C20H24O3/c1-19(2,3)14-10-12(9-13-16(21)7-8-17(13)22)11-15(18(14)23)20(4,5)6/h7-11,23H,1-6H3 |
| Isomeric SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C2C(=O)C=CC2=O |
| PubChem CID | 403661 |
| Molecular Weight | 312.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylpropanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpropanes |
| Alternative Parents | Phenols Cyclic ketones Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Phenylpropane - Phenol - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety. |
| External Descriptors | Not available |
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| Solubility | Soluble in DMSO (10 mg/ml). |
|---|---|
| Refractive Index | n20D1.59 (Predicted) |
| Boil Point(°C) | 442.36° C at 760 mmHg (Predicted) |
| Molecular Weight | 312.400 g/mol |
| XLogP3 | 5.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 312.173 Da |
| Monoisotopic Mass | 312.173 Da |
| Topological Polar Surface Area | 54.400 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 510.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
