≥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.
NXT629 is a potent, selective, and competitive PPAR-α antagonist, with an IC 50 of 77 nM for human PPARα , shows high selectivity over other nuclear hormone receptor, such as PPARδ , PPARγ , ERβ , GR and TRβ, IC 50 s are 6.0, 15, 15.2, 32.5 and >100 μM, respectively NXT629 has potent anti-tumor activity and inhibits experimental metastasis of cancer cell in animal models .
In Vitro
NXT629 (Compound 33) is a potent, selective PPAR-α antagonist, with an IC 50 of 77 nM for human PPARα, shows high selectivity over other nuclear hormone receptor, such as PPARδ, PPARγ, Erβ, GR and TRβ, IC 50 s are 6.0, 15, 15.2, 32.5 and >100 μM, respectively. NXT629 also competitively inhibits mousse PPARα, PPARβ/δ and PPARγ, with IC 50 s of 2.3, 35.1, 6.9 μM, resepctively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
NXT629 (Compound 33; 30 mg/kg, i.p.) exhibits good pharmacokinetics in mouse, and significantly decreases Fgf21 (Fibroblast growth factor 21), a PPARα target gene in fasted mice . NXT629 has poor oral bioavailability in mice and rats. NXT629 (30 mg/kg, i.p., daily for 6 weeks) delays growth of subcutaneous SKOV-3 tumors in nude mice, inhibits growth of subcutaneous B16F10 tumors in C57Bl/6 mice. NXT629 (30 mg/kg, i.p.) is weakly anti-angiogenic against FGF-induced angiogenesis. NXT629 (3, 30 mg/kg, i.p.) inhibits experimental metastasis of B16F10 melanoma cells to the mouse lung. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:hPPARα|77 nM (IC|50|)|hPPARδ|6 μM (IC|50|)|hPPARγ|15 μM (IC|50|)|ERβ|15.2 μM (IC|50|)|GR|32.5 μM (IC|50|)
| Canonical Smiles | CCN1C(=NN(C1=O)CC2=CC=C(C=C2)C(C)(C)C)CCCC3=CC=C(C=C3)C4=NC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5 |
|---|---|
| IUPAC Name | N-[6-[4-[3-[1-[(4-tert-butylphenyl)methyl]-4-ethyl-5-oxo-1,2,4-triazol-3-yl]propyl]phenyl]pyridin-3-yl]benzenesulfonamide |
| InChIKey | IRSFLNXJVJKMDT-UHFFFAOYSA-N |
| INCHI | 1S/C35H39N5O3S/c1-5-39-33(37-40(34(39)41)25-27-16-20-29(21-17-27)35(2,3)4)13-9-10-26-14-18-28(19-15-26)32-23-22-30(24-36-32)38-44(42,43)31-11-7-6-8-12-31/h6-8,11-12,14-24,38H,5,9-10,13,25H2,1-4H3 |
| Isomeric SMILES | CCN1C(=NN(C1=O)CC2=CC=C(C=C2)C(C)(C)C)CCCC3=CC=C(C=C3)C4=NC=C(C=C4)NS(=O)(=O)C5=CC=CC=C5 |
| PubChem CID | 71721539 |
| MeSH Entry Terms | NXT629 |
| Molecular Weight | 609.78 |
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 | Pyridines and derivatives |
| Subclass | Phenylpyridines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyridines |
| Alternative Parents | Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Organosulfonamides Triazoles Heteroaromatic compounds Aminosulfonyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyridine - Benzenesulfonamide - Benzenesulfonyl group - Phenylpropane - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Azole - Heteroaromatic compound - Aminosulfonyl compound - 1,2,4-triazole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond. |
| 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 |
|---|
| 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 |
|---|
| 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 |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Solubility | DMSO : 125 mg/mL (204.99 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 609.800 g/mol |
| XLogP3 | 6.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 609.277 Da |
| Monoisotopic Mass | 609.277 Da |
| Topological Polar Surface Area | 103.000 Ų |
| Heavy Atom Count | 44 |
| Formal Charge | 0 |
| Complexity | 1060.000 |
| 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 |
