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Trpvicin

CAT: 0804-HY-165559-03Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-165559-03Size:25 mg
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Description
Trpvicin is a potent and subtype-selective TRPV3 inhibitor with IC50s of 0.41 and 0.22 μM for hTRPV3-WT and hTRPV3-G573S mutant, respectively. Trpvicin exhibits minimal effects on other TRP family members (such as TRPV1/2/4/5/6, TRPA1 and TRPM8) . Trpvicin inhibits the TRPV3 channel by stabilizing it in a closed state via VSLD-PD binding. Trpvicin accesses additional binding sites inside the central cavity of the G573S mutant to remodel symmetry and block the channel. Trpvicin inhibits itch and hair loss in mouse models. Trpvicin can be used for study of inflammation and immunology[1].
CAS Number
2019994-90-0
UNSPSC
12352005
Target
TRP Channel
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Purity
99.4
Smiles
N#CC(C)(C)C1=NC=CC(C2=C(C(F)(F)F)N=C(NC(C3=C(OC)N=CN=C3OC)=O)S2)=C1
Molecular Formula
C20H17F3N6O3S
Molecular Weight
478.45
References & Citations
[1]Fan J, et al. Structural basis of TRPV3 inhibition by an antagonist. Nat Chem Biol. 2023 Jan;19 (1) :81-90.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
TRPV3

Chemical Information

Trpvicin
CAS Number2019994-90-0
PubChem CID122589101
IUPAC NameN-[5-[2-(2-cyanopropan-2-yl)-4-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-yl]-4,6-dimethoxypyrimidine-5-carboxamide
Molecular FormulaC20H17F3N6O3S
Molecular Weight478.4
XLogP3.1
Topological Polar Surface Area151
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity736
SMILES
CC(C)(C#N)C1=NC=CC(=C1)C2=C(N=C(S2)NC(=O)C3=C(N=CN=C3OC)OC)C(F)(F)F
InChI
InChI=1S/C20H17F3N6O3S/c1-19(2,8-24)11-7-10(5-6-25-11)13-14(20(21,22)23)28-18(33-13)29-15(30)12-16(31-3)26-9-27-17(12)32-4/h5-7,9H,1-4H3,(H,28,29,30)
InChIKey
CPIDEBBXBVMQOC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Trpvicin
CAS: 2019994-90-0
CID: 122589101
Formula: C20H17F3N6O3S
MW: 478.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight478.4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count12
Rotatable Bond Count6
Exact Mass478.10349409
Monoisotopic Mass478.10349409
Topological Polar Surface Area151 Ų
Heavy Atom Count33
Formal Charge0
Complexity736
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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CatalogName
GTR19273250-01Trpvicin

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