≥99% 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.
HIF-2α-IN-3, an allosteric inhibitor of hypoxia inducible factor-2α ( HIF-2α ), exhibits an IC 50 of 0.4 µM and a K D of 1.1 µM. Anticancer agent
In Vitro
HIF-2α-IN-3 (Compound 1) inhibit HIF-2α-ARNT (also known as HIF-β) heterodimerization by binding an internal cavity of the HIF-2α PAS-B domain. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IC50: 0.4 µM (HIF-2α), KD: 1.1 µM (HIF-2α)
| Canonical Smiles | C1=CC(=C(C=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
|---|---|
| IUPAC Name | N-(4-chloro-3-nitrophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine |
| InChIKey | PQZKMXPISWCLCU-UHFFFAOYSA-N |
| INCHI | 1S/C12H6ClN5O5/c13-7-2-1-6(5-10(7)17(19)20)14-9-4-3-8-11(16-23-15-8)12(9)18(21)22/h1-5,14H |
| Isomeric SMILES | C1=CC(=C(C=C1NC2=C(C3=NON=C3C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl |
| PubChem CID | 2836622 |
| Molecular Weight | 335.66 |
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 |
| Class | Benzoxadiazoles |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoxadiazoles |
| Alternative Parents | Nitrobenzenes Aniline and substituted anilines Nitroaromatic compounds Chlorobenzenes Aryl chlorides Furazans Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Secondary amines Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organochlorides Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzoxadiazole - Nitrobenzene - Nitroaromatic compound - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Furazan - Heteroaromatic compound - Oxadiazole - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Organic zwitterion - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organochloride - Organonitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoxadiazoles. These are organic compounds containing a benzene fused to an oxadiazole ring (a five-membered ring with two carbon atoms, one nitrogen atom, and one oxygen atom). |
| External Descriptors | Not available |
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 12.5 mg/mL (37.24 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 335.660 g/mol |
| XLogP3 | 3.600 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 2 |
| Exact Mass | 335.006 Da |
| Monoisotopic Mass | 335.006 Da |
| Topological Polar Surface Area | 143.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 472.000 |
| 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 |
