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PF-4840154

CAT: 0013-GTR19170264-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170264-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
PF-4840154 is a potent and selective agonist of both rat and human TRPA1 channels, with EC50 values of 97 nM and 23 nM, respectively. It induces TRPA1-mediated nocifensive behavior in mice, making it a valuable tool for studying pain and neurogenic inflammation in both in vitro and in vivo experimental models.
CAS Number
1332708-14-1
Product Name Alternative
Behavior, hTRPA1, inhibit, Inhibitor, non-electrophilic, licking, nocifensive, rTRPA1, PF 4840154, PF4840154, PF-4840154, TRPVChannel, TRPChannel, TRPV Channel, TRP Channel, Transient receptor potential channels
Field of Research
Pharmacology & Drug Discovery
Purity
98.48% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (2.14 mM) ; DMSO:4.67 mg/mL (10.01 mM)
Smiles
CC (C) CNc1nc (ncc1C (=O) NCc1ccccc1) N1CCN (CC2CCCOC2) CC1
Molecular Formula
C26H38N6O2
Molecular Weight
466.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-4840154

a TrpA1 channel agonist; structure in first source

CAS Number1332708-14-1
PubChem CID53380803
IUPAC NameN-benzyl-4-(2-methylpropylamino)-2-[4-(oxan-3-ylmethyl)piperazin-1-yl]pyrimidine-5-carboxamide
Molecular FormulaC26H38N6O2
Molecular Weight466.6
XLogP4
Topological Polar Surface Area82.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity606
SMILES
CC(C)CNC1=NC(=NC=C1C(=O)NCC2=CC=CC=C2)N3CCN(CC3)CC4CCCOC4
InChI
InChI=1S/C26H38N6O2/c1-20(2)15-27-24-23(25(33)28-16-21-7-4-3-5-8-21)17-29-26(30-24)32-12-10-31(11-13-32)18-22-9-6-14-34-19-22/h3-5,7-8,17,20,22H,6,9-16,18-19H2,1-2H3,(H,28,33)(H,27,29,30)
InChIKey
PPANZCQXFYBGHN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-4840154
CAS: 1332708-14-1
CID: 53380803
Formula: C26H38N6O2
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass466.30562448
Monoisotopic Mass466.30562448
Topological Polar Surface Area82.6 Ų
Heavy Atom Count34
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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