≥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.
PF-04745637 is a potent and selective TRPA1 antagonist with an IC 50 of 17 nM for human TRPA1
In Vivo
Topically applied PF-04745637 (Compound 8; 50 mg/mL and 100 mg/mL) significantly reduces cinnamaldehyde-mediated flare in rat skin . MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:TRPA1 17 nM (IC 50 )
| Sonrisas canónicas | C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC(CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O |
|---|---|
| IUPAC Name | 1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide |
| InChIKey | PAEBEJVPSADOMC-UHFFFAOYSA-N |
| INCHI | 1S/C27H32ClF3N2O2/c28-22-10-8-21(9-11-22)25(12-4-5-13-25)24(34)32-19-23(18-20-6-2-1-3-7-20)33-16-14-26(35,15-17-33)27(29,30)31/h1-3,6-11,23,35H,4-5,12-19H2,(H,32,34) |
| Isómeros SMILES | C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC(CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O |
| PubChem CID | 121304823 |
| Peso molecular | 509.00 |
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 | Phenethylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Amphetamines and derivatives |
| Alternative Parents | Phenylacetamides Chlorobenzenes Aralkylamines Piperidines Aryl chlorides Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Fluorohydrins Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylacetamide - Amphetamine or derivatives - Aralkylamine - Halobenzene - Chlorobenzene - Piperidine - Aryl halide - Aryl chloride - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Halohydrin - Fluorohydrin - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Alcohol - Aromatic heteromonocyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine. |
| 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 |
|---|
| Solubilidad | DMSO : 125 mg/mL (245.58 mM; Need ultrasonic) |
|---|---|
| Peso molecular | 509.000 g/mol |
| XLogP3 | 6.100 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 7 |
| Exact Mass | 508.21 Da |
| Monoisotopic Mass | 508.21 Da |
| Topological Polar Surface Area | 52.600 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 691.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
