≥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.
ASK1-IN-1 is a CNS-penetrant ASK1 (apoptosis signal-regulating kinase 1) inhibitor, with good potency (cell IC50=138 nM; Biochemical IC50=21 nM)
| Sonrisas canónicas | CC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CN(N=C3OC)C4=NC=CN=C4 |
|---|---|
| IUPAC Name | 3-methoxy-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1-pyrazin-2-ylpyrazole-4-carboxamide |
| InChIKey | FTPVMITWJIXRGQ-UHFFFAOYSA-N |
| INCHI | 1S/C19H19N9O2/c1-12(2)27-11-22-25-17(27)14-5-4-6-15(23-14)24-18(29)13-10-28(26-19(13)30-3)16-9-20-7-8-21-16/h4-12H,1-3H3,(H,23,24,29) |
| Isómeros SMILES | CC(C)N1C=NN=C1C2=NC(=CC=C2)NC(=O)C3=CN(N=C3OC)C4=NC=CN=C4 |
| Peso molecular | 405.41 |
| Reaxy-Rn | 35711960 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35711960&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 | Pyridines and derivatives |
| Subclass | Pyridyltriazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridyl-1,2,4-triazoles |
| Alternative Parents | Pyrazole-4-carboxamides Alkyl aryl ethers Pyrazines Imidolactams Vinylogous amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridyl-1,2,4-triazole - Pyrazole-4-carboxamide - Alkyl aryl ether - Imidolactam - Pyrazine - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Triazole - Pyrazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyridyl-1,2,4-triazoles. These are organic compounds containing a pyridine ring attached to a 1,2,4-triazole ring. |
| External Descriptors | Not available |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Fecha | Articulo |
|---|---|---|---|
 B2428432 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428445 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428447 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428449 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428451 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428455 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428456 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| B2428458 | Certificate of Analysis | Jan 22, 2024 | A412921 |
| Peso molecular | 405.400 g/mol |
|---|---|
| XLogP3 | 0.400 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 405.166 Da |
| Monoisotopic Mass | 405.166 Da |
| Topological Polar Surface Area | 126.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 580.000 |
| 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 |
