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.
TFAP is a cell-permeable pyridinyl-benzamide compound that acts as a Cox-1 (IC|50|of 0.80 μM) selective inhibitor versus Cox-2 (IC|50|of 210 μM) by targeting the enzyme's active site and displays analgesic properties in mice and rats in vivo (30 mg/kg, p.o.) without long-term cytotoxic effects (300 mg/kg in mice, daily, p.o. for 14 days). Unlike Cox-2-inhibiting analgesics such as aspirin, TFAP is shown not to cause gastric damage in rats in vivo (300 mg/kg, p.o.).
| pKa | pKₐ: 11.02 (Predicted), pKₐ: 3.72 (Predicted) |
|---|
| パブケム・シド | 528767384 |
|---|---|
| カノニカル・スマイル | C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)N)C(F)(F)F |
| IUPAC Name | N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide |
| InChIKey | BTCFFMPDIBWZLF-UHFFFAOYSA-N |
| INCHI | 1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20) |
| 異性体SMILES | C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)N)C(F)(F)F |
| PubChem CID | 24752865 |
| 分子量 | 281.23 |
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 | Benzenoids |
| 分類 | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Benzamides Benzoyl derivatives Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Benzoyl - Aminopyridine - Imidolactam - Pyridine - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Aromatic heteromonocyclic compound |
| 説明 | This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 分子量 | 281.230 g/mol |
|---|---|
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 2 |
| Exact Mass | 281.078 Da |
| Monoisotopic Mass | 281.078 Da |
| Topological Polar Surface Area | 68.000 Ų |
| Heavy Atom Count | 20 |
| Formal Charge | 0 |
| Complexity | 340.000 |
| 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 |
