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TRPV1 antagonist 10

CAT: 0931-T207037-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T207037-01Size:10 mg
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CAS Number
896584-55-7
Target
OAT, Cytochromes P450, transporter, TRP/TRPV Channel
Related Pathways
Membrane transporter/Ion channel, Metabolism
Bioactivity
TRPV1 antagonist 10 is a potent, orally active TRPV1 antagonist with an IC50 of 33.06 nM and serves as a moderate to weak inhibitor of URAT1 (IC50 = 22.51 μM) and GLUT9 (inhibition of 60.25% at 50 μM) . It exhibits analgesic and urate-lowering properties and is applicable for research in hyperuricemia and inflammatory pain.
Smiles
O=C(NC1=CC=C2OCOC2=C1)NC3=CC=C4OCCOC4=C3
Molecular Formula
C16H14N2O5
Molecular Weight
314.293
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(1,3-Benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea

1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea is a benzodioxine.

CAS Number896584-55-7
PubChem CID6470323
IUPAC Name1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
Molecular FormulaC16H14N2O5
Molecular Weight314.29
XLogP2
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity435
SMILES
C1COC2=C(O1)C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OCO4
InChI
InChI=1S/C16H14N2O5/c19-16(18-11-2-4-13-15(8-11)23-9-22-13)17-10-1-3-12-14(7-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19)
InChIKey
XEOBUSLELWJDNO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(1,3-Benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)urea
CAS: 896584-55-7
CID: 6470323
Formula: C16H14N2O5
MW: 314.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.29
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass314.09027155
Monoisotopic Mass314.09027155
Topological Polar Surface Area78.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity435
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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