≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Conservar a -20°C Ships Hielera + almohadillas de hielo 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.
El RWJ 50271 es un inhibidor selectivo y activo por vía oral de la interacción entre el antígeno-1 asociado a la función linfocitaria y la molécula-1 de adhesión intercelular (LFA-1/ICAM-1), con un IC50 de 5,0 μM (células HL60). RWJ 50271 inhibe la adhesión celular mediada por LFA-1/ICAM-1.
| Sonrisas canónicas | CC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NCCCO |
|---|---|
| IUPAC Name | N-(3-hydroxypropyl)-5-methyl-1-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pyrazole-4-carboxamide |
| InChIKey | HOFGTYCLOKDAES-UHFFFAOYSA-N |
| INCHI | 1S/C18H17F3N4O2S/c1-11-14(16(27)22-6-3-7-26)9-23-25(11)17-24-15(10-28-17)12-4-2-5-13(8-12)18(19,20)21/h2,4-5,8-10,26H,3,6-7H2,1H3,(H,22,27) |
| Isómeros SMILES | CC1=C(C=NN1C2=NC(=CS2)C3=CC(=CC=C3)C(F)(F)F)C(=O)NCCCO |
| PubChem CID | 9953357 |
| Peso molecular | 410.41 |
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 |
| Clase | Benzene and substituted derivatives |
| Subclass | Trifluoromethylbenzenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Trifluoromethylbenzenes |
| Alternative Parents | Pyrazole-4-carboxamides 2,4-disubstituted thiazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Alkanolamines Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Trifluoromethylbenzene - Pyrazole-4-carboxamide - 2,4-disubstituted 1,3-thiazole - Azole - Pyrazole - Heteroaromatic compound - Thiazole - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Alkanolamine - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Organic oxide - Organic oxygen compound - Alkyl halide - Primary alcohol - Hydrocarbon derivative - Organic nitrogen compound - Alkyl fluoride - Aromatic heteromonocyclic compound |
| Descripción | 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 | 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 |
|---|
| Solubilidad | Solvent:DMSO, Max Conc. mg/mL: 41.04, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.1, Max Conc. mM: 10 |
|---|---|
| Peso molecular | 410.400 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 410.102 Da |
| Monoisotopic Mass | 410.102 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 539.000 |
| 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 |
D2311773