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Pyr3

CAT: 0013-GTR19174248-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174248-01Size:5 mg
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Description
Pyr3 is a potent and selective inhibitor of the TRPC3 ion channel, demonstrating dose-dependent inhibition of TRPC3-mediated calcium entry with an IC50 of 700 nM. This tool compound is widely used in cardiovascular and neurological research to investigate TRPC3 function in cellular signaling pathways, both in vitro and in vivo.
CAS Number
1160514-60-2
Product Name Alternative
Pyr3, Pyr-3, TRPV Channel, TRP Channel, TRPChannel, TRPC3, TRPVChannel
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Bioactivity
TRPC3 blocker
Form
Powder
Solubility
Soluble in DMSO (up to 40 mg/ml) .
Smiles
CCOC (=O) c1cnn (c1C (F) (F) F) -c1ccc (NC (=O) C (Cl) =C (Cl) Cl) cc1
Molecular Formula
C16H11Cl3F3N3O3
Molecular Weight
456.64
Storage Conditions
-20°C
Notes
For research use only.
Other Product Names
1-[4-[ (2,3,3-Trichloro-1-oxo-2-propen-1-yl) amino]phenyl]-5- (trifluoromethyl) -1H-pyrazole-4-carboxylic acid

Chemical Information

Pyr3
CAS Number1160514-60-2
PubChem CID56964346
IUPAC Nameethyl 1-[4-(2,3,3-trichloroprop-2-enoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
Molecular FormulaC16H11Cl3F3N3O3
Molecular Weight456.6
XLogP4.8
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity621
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)NC(=O)C(=C(Cl)Cl)Cl)C(F)(F)F
InChI
InChI=1S/C16H11Cl3F3N3O3/c1-2-28-15(27)10-7-23-25(12(10)16(20,21)22)9-5-3-8(4-6-9)24-14(26)11(17)13(18)19/h3-7H,2H2,1H3,(H,24,26)
InChIKey
RZHGONNSASQOAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pyr3
CAS: 1160514-60-2
CID: 56964346
Formula: C16H11Cl3F3N3O3
MW: 456.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight456.6
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass454.981809
Monoisotopic Mass454.981809
Topological Polar Surface Area73.2 Ų
Heavy Atom Count28
Formal Charge0
Complexity621
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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