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Pyr6

CAT: 0931-T16688-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T16688-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
245747-08-4
Target
Calcium Channel, TRP/TRPV Channel
Related Pathways
Metabolism, Membrane transporter/Ion channel
Purity
0.9918
Bioactivity
Pyr6 (N-[4-[3,5-Bis (trifluoromethyl) -1H-pyrazol-1-yl]phenyl]-3-fluoro-4-pyridinecarboxamide) is a selective TRPC3 inhibitor with IC50 of 0.49 uM (Ca2+ influx inhibition in thapsigargin depleted native RBL-2H3 cells) .Pyr6 is an inhibitor of Ca2+ entry, which displays higher potency to inhibit Ca2+ entry mediated by CRAC channel than by TRPC3.
Smiles
Fc1cnccc1C(=O)Nc1ccc(cc1)-n1nc(cc1C(F)(F)F)C(F)(F)F
Molecular Formula
C17H9F7N4O
Molecular Weight
418.27
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CAS Number245747-08-4
PubChem CID10598093
IUPAC NameN-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
Molecular FormulaC17H9F7N4O
Molecular Weight418.27
XLogP3.6
Topological Polar Surface Area59.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity577
SMILES
C1=CC(=CC=C1NC(=O)C2=C(C=NC=C2)F)N3C(=CC(=N3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C17H9F7N4O/c18-12-8-25-6-5-11(12)15(29)26-9-1-3-10(4-2-9)28-14(17(22,23)24)7-13(27-28)16(19,20)21/h1-8H,(H,26,29)
InChIKey
XZIQSOZOLJJMFN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CAS: 245747-08-4
CID: 10598093
Formula: C17H9F7N4O
MW: 418.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight418.27
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count3
Exact Mass418.06645806
Monoisotopic Mass418.06645806
Topological Polar Surface Area59.8 Ų
Heavy Atom Count29
Formal Charge0
Complexity577
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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