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Tapinarof

CAT: 0957-S9700-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9700-01Size:5 mg
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Description
Tapinarof (GSK2894512, Benvitimod, WBI 1001, DHPS, DMVT 505) is a natural agonist of aryl hydrocarbon receptor (AhR) and induces nuclear translocation of AhR in immortalized keratinocytes (HaCaT) with EC50 of 0.16 nM. Tapinarof induces cellular apoptosis in CD4+ T cells in a dosedependent manner with IC50 of 5.2 μM.
CAS Number
79338-84-4
Synonyms
GSK2894512, Benvitimod, WBI 1001, DHPS, DMVT 505
Target
AhR
Activity
Immunology & Inflammation
Molecular Formula
C17H18O2
Storage Conditions
3 years -20°C powder

Chemical Information

Tapinarof

Benvitimod is a stilbenoid.

CAS Number79338-84-4
PubChem CID6439522
IUPAC Name5-[(E)-2-phenylethenyl]-2-propan-2-ylbenzene-1,3-diol
Molecular FormulaC17H18O2
Molecular Weight254.32
XLogP4.6
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
CC(C)C1=C(C=C(C=C1O)/C=C/C2=CC=CC=C2)O
InChI
InChI=1S/C17H18O2/c1-12(2)17-15(18)10-14(11-16(17)19)9-8-13-6-4-3-5-7-13/h3-12,18-19H,1-2H3/b9-8+
InChIKey
ZISJNXNHJRQYJO-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of Tapinarof
CAS: 79338-84-4
CID: 6439522
Formula: C17H18O2
MW: 254.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.32
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass254.130679813
Monoisotopic Mass254.130679813
Topological Polar Surface Area40.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C14424-01Tapinarof
CS-O-59182Tapinarof-d6
A19285-1Tapinarof 1mg
HY-109044R-01Tapinarof (Standard)
A19285-500Tapinarof 500mg
A19285-100Tapinarof 100mg
A19285-10Tapinarof 10mg
A19285-2Tapinarof 2mg
CS-O-51500Tapinarof-d5
A19285-50Tapinarof 50mg

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