≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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
AEM1 is an inhibitor of deregulated NRF2 transcriptional activity in cancer.
| Sonrisas canónicas | C1OC2=C(O1)C=C(C=C2)CNC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | N-(1,3-benzodioxol-5-ylmethyl)-5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-amine |
| InChIKey | QGYLTGSHWIGJJD-UHFFFAOYSA-N |
| INCHI | 1S/C20H14FN3O2S/c21-14-4-2-13(3-5-14)15-9-27-20-18(15)19(23-10-24-20)22-8-12-1-6-16-17(7-12)26-11-25-16/h1-7,9-10H,8,11H2,(H,22,23,24) |
| Isómeros SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=C4C(=CSC4=NC=N3)C5=CC=C(C=C5)F |
| Peso molecular | 379.41 |
| Reaxy-Rn | 62954592 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=62954592&ln= |
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 →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Thienopyrimidines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Thienopyrimidines |
| Alternative Parents | Benzodioxoles Secondary alkylarylamines Fluorobenzenes Aminopyrimidines and derivatives Imidolactams Aryl fluorides Thiophenes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzodioxole - Thienopyrimidine - Aminopyrimidine - Fluorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Thiophene - Acetal - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B2427129 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427132 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427133 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427134 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427135 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427136 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427137 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427139 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| B2427140 | Certificate of Analysis | Jan 20, 2024 | A412954 |
| Peso molecular | 379.400 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 379.079 Da |
| Monoisotopic Mass | 379.079 Da |
| Topological Polar Surface Area | 84.500 Ų |
| Heavy Atom Count | 27 |
| Formal Charge | 0 |
| Complexity | 508.000 |
| 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 |
