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
GNF351 GNF351 is a potent antagonist of aryl hydrocarbon receptor (AHR) . GNF351 interacts directly with the AHR ligand binding pocket and competes with a well-characterized photoaffinity AHR ligand for binding to the AHR with IC50 of 62 nM.
Targets
AhR (Cell-free assay) 62 nM
| ALogP | 4.199 |
|---|---|
| hba_count | 4 |
| Contagem HBD | 2 |
| Ligação rotativa | 6 |
| Pubchem Sid | 528764631 |
|---|---|
| Sorrisos canónicos | CC1=CC(=CN=C1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NCCC4=CNC5=CC=CC=C54 |
| IUPAC Name | N-[2-(1H-indol-3-yl)ethyl]-2-(5-methylpyridin-3-yl)-9-propan-2-ylpurin-6-amine |
| InChIKey | ABXIUYMKZDZUDC-UHFFFAOYSA-N |
| INCHI | 1S/C24H25N7/c1-15(2)31-14-28-21-23(26-9-8-17-13-27-20-7-5-4-6-19(17)20)29-22(30-24(21)31)18-10-16(3)11-25-12-18/h4-7,10-15,27H,8-9H2,1-3H3,(H,26,29,30) |
| SMILES isoméricas | CC1=CC(=CN=C1)C2=NC(=C3C(=N2)N(C=N3)C(C)C)NCCC4=CNC5=CC=CC=C54 |
| Peso molecular | 411.5 |
| Reaxy-Rn | 24290654 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24290654&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 |
| Classe | Diazines |
| Subclass | Pyrimidines and pyrimidine derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinylpyrimidines |
| Alternative Parents | 6-alkylaminopurines 3-alkylindoles Secondary alkylarylamines Methylpyridines Aminopyrimidines and derivatives Substituted pyrroles N-substituted imidazoles Imidolactams Benzenoids Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyridinylpyrimidine - 6-alkylaminopurine - 6-aminopurine - 3-alkylindole - Imidazopyrimidine - Indole - Indole or derivatives - Purine - Aminopyrimidine - Methylpyridine - Secondary aliphatic/aromatic amine - Imidolactam - Benzenoid - Substituted pyrrole - N-substituted imidazole - Pyridine - Heteroaromatic compound - Azole - Imidazole - Pyrrole - Azacycle - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Descrição | This compound belongs to the class of organic compounds known as pyridinylpyrimidines. These are compounds containing a pyridinylpyrimidine skeleton, which consists of a pyridine linked (not fused) to a pyrimidine by a bond. |
| External Descriptors | Not available |
| DMSO (mg/mL) Solubilidade máxima | 30 |
|---|---|
| DMSO (mM) Solubilidade máxima | 72.9040097205346 |
| Água (mg/mL) Solubilidade máxima | ＜1 |
| Peso molecular | 411.500 g/mol |
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 411.217 Da |
| Monoisotopic Mass | 411.217 Da |
| Topological Polar Surface Area | 84.300 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 586.000 |
| 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 |
