10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs 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.
Information
STAT3-IN-1 (compound 7d) is an excellent, selective and orally active inhibitor ofSTAT3with IC50 of 1.82 μM and 2.14 μM in HT29 and MDA-MB 231 cells, respectively. STAT3-IN-1 inducesapoptosisof tumor cells.
Targets
STAT3 (in HT29 cells); STAT3 (in MDA-MB 231 cells) 1.82 μM; 2.14 μM
| ALogP | 4.986 |
|---|---|
| Recuento HBD | 1 |
| Enlace rotable | 10 |
| Sonrisas canónicas | COC1=CC(=CC(=C1)C=CC2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C(=C3)OC)OC)OC)OC |
|---|---|
| IUPAC Name | (E)-N-[4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]phenyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide |
| InChIKey | KOZAEBHIXYBHKA-FCXQYMQBSA-N |
| INCHI | 1S/C28H29NO6/c1-31-23-14-20(15-24(18-23)32-2)7-6-19-8-11-22(12-9-19)29-27(30)13-10-21-16-25(33-3)28(35-5)26(17-21)34-4/h6-18H,1-5H3,(H,29,30)/b7-6+,13-10+ |
| Isómeros SMILES | COC1=CC(=CC(=C1)/C=C/C2=CC=C(C=C2)NC(=O)/C=C/C3=CC(=C(C(=C3)OC)OC)OC)OC |
| PubChem CID | 134130166 |
| Peso molecular | 475.53 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| DMSO (mg/ml) Solubilidad máxima | 95 |
|---|---|
| DMSO (mM) Solubilidad máxima | 199.777090824974 |
| Agua (mg/ml) Solubilidad máxima | ＜1 |
| Peso molecular | 475.500 g/mol |
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 475.199 Da |
| Monoisotopic Mass | 475.199 Da |
| Topological Polar Surface Area | 75.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 663.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 2 |
| Covalently-Bonded Unit Count | 1 |
