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Membrane Transporter/Ion Channel
TRP Channel
PF-04745637 - 98%, high purity , CAS No.1917294-46-2

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PF-04745637 - 98%, high purity , CAS No.1917294-46-2

COA

Grade & Purity:

≥98%

Cas Number: 1917294-46-2
Molecular Weight: 509.00
PubChem CID: 121304823

In stock

Item Number

P647453

Grouped product items
SKU	Size	Availability	Price
P647453-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$142.90
P647453-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$300.90
P647453-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90

View related series

Ion channel (2197) Membrane Transporter/Ion Channel (1822) Neuronal Signaling (3320) TRP Channel (181)

Basic Description

Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	PF-04745637 is a potent and selective TRPA1 antagonist with an IC 50 of 17 nM for human TRPA1.
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	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 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenethylamines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	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
Description	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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TRPA1 Tclin Transient receptor potential cation channel subfamily A member 1 (3 Activities)

Discover Target: TRPA1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

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

IUPAC Name	1-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-3-phenylpropyl]cyclopentane-1-carboxamide
INCHI	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)
InChIKey	PAEBEJVPSADOMC-UHFFFAOYSA-N
Smiles	C1CCC(C1)(C2=CC=C(C=C2)Cl)C(=O)NCC(CC3=CC=CC=C3)N4CCC(CC4)(C(F)(F)F)O
Isomeric 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
Molecular Weight	509.00

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 125 mg/mL (245.58 mM; Need ultrasonic)
Molecular Weight	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 Å²
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

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