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TRPV1 antagonist 9

CAT: 0804-HY-110091-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0804-HY-110091-01Size:500 µg
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Description
TRPV1 antagonist 9 (compound 13c) is an orally active transient receptor potential vanilloid 1 (TRPV1) channel antagonist. TRPV1 antagonist 9 blocks Ca2+ uptake by CHO cells expressing TRPV1 receptors with IC50 values are 0.6 and 0.8 nM for Capsaicin and acid-induced Ca2+ uptake, respectively. TRPV1 antagonist 9 blocks Capsaicin (HY-10448) -induced flinch response and causes hyperthermia in rats[1].
CAS Number
939040-79-6
UNSPSC
12352005
Target
TRP Channel
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/trpv1-antagonist-9.html
Smiles
NC1=NC(C(NC1=O)=CC=C2)=C2OC3=NC(NCCOC)=NC(C4=CC=C(C(F)(F)F)C=C4)=C3
Molecular Formula
C22H19F3N6O3
Molecular Weight
472.42
References & Citations
[1]Tamayo N, et al. Design and synthesis of peripherally restricted transient receptor potential vanilloid 1 (TRPV1) antagonists. J Med Chem. 2008;51 (9) :2744-2757.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Amino-5-((2-((2-methoxyethyl)amino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)oxy)quinoxalin-2(1H)-one

vanilloid receptor TRPV1 antagonist

CAS Number939040-79-6
PubChem CID24858024
IUPAC Name3-amino-5-[2-(2-methoxyethylamino)-6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-1H-quinoxalin-2-one
Molecular FormulaC22H19F3N6O3
Molecular Weight472.4
XLogP3
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count34
Formal Charge0
Complexity731
SMILES
COCCNC1=NC(=CC(=N1)OC2=CC=CC3=C2N=C(C(=O)N3)N)C4=CC=C(C=C4)C(F)(F)F
InChI
InChI=1S/C22H19F3N6O3/c1-33-10-9-27-21-29-15(12-5-7-13(8-6-12)22(23,24)25)11-17(30-21)34-16-4-2-3-14-18(16)31-19(26)20(32)28-14/h2-8,11H,9-10H2,1H3,(H2,26,31)(H,28,32)(H,27,29,30)
InChIKey
TUMYQRZCVIQKOQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Amino-5-((2-((2-methoxyethyl)amino)-6-(4-(trifluoromethyl)phenyl)pyrimidin-4-yl)oxy)quinoxalin-2(1H)-one
CAS: 939040-79-6
CID: 24858024
Formula: C22H19F3N6O3
MW: 472.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.4
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass472.14707298
Monoisotopic Mass472.14707298
Topological Polar Surface Area124 Ų
Heavy Atom Count34
Formal Charge0
Complexity731
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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