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JYL-79

CAT: 0013-GTR19200160-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200160-01Size:25 mg
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Description
JYL-79 is a vanilloid receptor (TRPV1) agonist used in pharmacological research. It serves as a tool compound for studying TRPV1-mediated signaling in vitro and exploring pain pathways and neurogenic inflammation in vivo.
CAS Number
289902-64-3
Field of Research
Pharmacology & Drug Discovery
Smiles
C (C (CNC (NCC1=CC (OC) =C (O) C=C1) =S) COC (C (C) (C) C) =O) C2=CC (C) =C (C) C=C2
Molecular Formula
C26H36N2O4S
Molecular Weight
472.64
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-((3-(4-Hydroxy-3-methoxybenzyl)thioureido)methyl)-3-(3,4-dimethylphenyl)propyl pivalate
CAS Number289902-64-3
PubChem CID9804872
IUPAC Name[2-[(3,4-dimethylphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methylcarbamothioylamino]propyl] 2,2-dimethylpropanoate
Molecular FormulaC26H36N2O4S
Molecular Weight472.6
XLogP5.3
Topological Polar Surface Area112
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Heavy Atom Count33
Formal Charge0
Complexity624
SMILES
CC1=C(C=C(C=C1)CC(CNC(=S)NCC2=CC(=C(C=C2)O)OC)COC(=O)C(C)(C)C)C
InChI
InChI=1S/C26H36N2O4S/c1-17-7-8-19(11-18(17)2)12-21(16-32-24(30)26(3,4)5)15-28-25(33)27-14-20-9-10-22(29)23(13-20)31-6/h7-11,13,21,29H,12,14-16H2,1-6H3,(H2,27,28,33)
InChIKey
KDYVIORLSJSMTG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-((3-(4-Hydroxy-3-methoxybenzyl)thioureido)methyl)-3-(3,4-dimethylphenyl)propyl pivalate
CAS: 289902-64-3
CID: 9804872
Formula: C26H36N2O4S
MW: 472.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight472.6
XLogP35.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count11
Exact Mass472.23957881
Monoisotopic Mass472.23957881
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity624
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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