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Basic Description
| Synonyms | CCG-214031 | EN300-140608 | MEPIROXOL [INN] | NSC758906 | NSC-758906 | 3-Pyridylcarbinol N-oxide | 3-Pyrinemethanol 1-oxide | AB01563378_02 | 3-Pyridylcarbinol N-oxide, 97% | SR-01000872729-1 | Tox21_112363_1 | [1,1'-Bianthracene]-9,9',10,10'-tetrone, 2,2 |
|---|---|
| Specifications & Purity | ≥97% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
| Product Description |
Application： 3-Pyridylcarbinol N-oxide was used to develop a series of urinary biomarkers to assess the metabolic activation and detoxification of 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone in humans. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
- Subclass Pyridinium derivatives
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyridines and derivatives |
| Subclass | Pyridinium derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyridinium derivatives |
| Alternative Parents | Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Pyridinium - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine. |
| External Descriptors | Not available |
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Associated Targets(Human)
PMP22
Tbio
Peripheral myelin protein 22 (699 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
Hdac6
Histone deacetylase 6 (222 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
rep
Replicase polyprotein 1ab (378 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Names and Identifiers
| Pubchem Sid | 488184672 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488184672 |
| IUPAC Name | (1-oxidopyridin-1-ium-3-yl)methanol |
| INCHI | InChI=1S/C6H7NO2/c8-5-6-2-1-3-7(9)4-6/h1-4,8H,5H2 |
| InChIKey | LQYJAVWWKTWWKN-UHFFFAOYSA-N |
| Smiles | C1=CC(=C[N+](=C1)[O-])CO |
| Isomeric SMILES | C1=CC(=C[N+](=C1)[O-])CO |
| WGK Germany | 3 |
| Molecular Weight | 125.13 |
| Reaxy-Rn | 114419 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=114419&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 D23061808 |
Certificate of Analysis | Feb 11, 2023 | M418531 |
| D23061813 |
Certificate of Analysis | Feb 11, 2023 | M418531 |
| D23061819 |
Certificate of Analysis | Feb 11, 2023 | M418531 |
| D23061820 |
Certificate of Analysis | Feb 11, 2023 | M418531 |
| D23061821 |
Certificate of Analysis | Feb 11, 2023 | M418531 |
| D23061814 |
Certificate of Analysis | Feb 11, 2023 | M418531 |
Chemical and Physical Properties
| Solubility | ≥45.3 mg/mL in EtOH; ≥5.45 mg/mL in DMSO; ≥51.9 mg/mL in H2O |
|---|---|
| Sensitivity | Hygroscopic |
| Melt Point(°C) | 87-89℃ |
| Molecular Weight | 125.130 g/mol |
| XLogP3 | -1.000 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 1 |
| Exact Mass | 125.048 Da |
| Monoisotopic Mass | 125.048 Da |
| Topological Polar Surface Area | 45.700 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 87.100 |
| 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 |
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