≥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.
IDO-IN-3 is a potent indoleamine 2,3-dioxygenase ( IDO ) inhibitor with an IC 50 of 290 nM.
In Vitro
IDO-IN-3 (Compound 4c) is a potent (HeLa IC 50 =98 nM) inhibitor of IDO. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:IDO 290 nM (IC 50 ) IDO 98 nM (IC 50 , in HeLa cell)
| Canonical Smiles | C1=CC(=C(C=C1N=C(C2=NON=C2NCCN)NO)Br)F |
|---|---|
| IUPAC Name | 4-(2-aminoethylamino)-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide |
| InChIKey | DAPNMIADTFAXEG-UHFFFAOYSA-N |
| INCHI | 1S/C11H12BrFN6O2/c12-7-5-6(1-2-8(7)13)16-11(17-20)9-10(15-4-3-14)19-21-18-9/h1-2,5,20H,3-4,14H2,(H,15,19)(H,16,17) |
| Isomeric SMILES | C1=CC(=C(C=C1N=C(C2=NON=C2NCCN)NO)Br)F |
| PubChem CID | 136898218 |
| Molecular Weight | 359.15 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Halobenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorobenzenes |
| Alternative Parents | Secondary alkylarylamines Bromobenzenes Imidolactams Aryl fluorides Aryl bromides Heteroaromatic compounds Furazans Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organopnictogen compounds Organofluorides Organobromides Organic oxygen compounds Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Secondary aliphatic/aromatic amine - Fluorobenzene - Bromobenzene - Imidolactam - Aryl halide - Aryl fluoride - Aryl bromide - Heteroaromatic compound - Oxadiazole - Furazan - Azole - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Primary aliphatic amine - Amine - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 27.5 mg/mL (76.57 mM; Need ultrasonic and warming) |
|---|---|
| Molecular Weight | 359.150 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 358.019 Da |
| Monoisotopic Mass | 358.019 Da |
| Topological Polar Surface Area | 122.000 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 364.000 |
| 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 |
