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Tapinarof

CAT: 0804-HY-109044-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-109044-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Tapinarof (WBI-1001) is a natural aryl hydrocarbon receptor (AhR) agonist with an EC50 of 13 nM. Tapinarof resolves skin inflammation in mice[1].
CAS Number
79338-84-4
Product Name Alternative
WBI-1001; Benvitimod; GSK2894512
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Aryl Hydrocarbon Receptor
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Tapinarof.html
Purity
99.95
Solubility
DMSO : 100 mg/mL (ultrasonic) |Ethanol : ≥ 100 mg/mL
Smiles
OC1=C(C(C)C)C(O)=CC(/C=C/C2=CC=CC=C2)=C1
Molecular Formula
C17H18O2
Molecular Weight
254.32
Precautions
H302, H315, H319, H335
References & Citations
[1]Smith SH, et al. Tapinarof Is a Natural AhR Agonist that Resolves Skin Inflammation in Mice and Humans. J Invest Dermatol. 2017 Oct;137 (10) :2110-2119.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
Launched

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
BA5839-10Tapinarof
CS-O-59182Tapinarof-d6
A19285-1Tapinarof 1mg
A19285-500Tapinarof 500mg
A19285-100Tapinarof 100mg
A19285-10Tapinarof 10mg
A19285-2Tapinarof 2mg
CS-O-51500Tapinarof-d5
A19285-50Tapinarof 50mg

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