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Tapinarof

CAT: 0013-GTR19170472-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19170472-06Size:100 mg
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Description
Tapinarof (Benvitimod) is a topical small molecule aryl hydrocarbon receptor (AhR) agonist developed for psoriasis treatment. It modulates immune and keratinocyte pathways, showing efficacy in both in vitro assays and clinical trials for plaque psoriasis.
CAS Number
79338-84-4
Product Name Alternative
ArylHydrocarbonReceptor, Aryl Hydrocarbon Receptor, AhR, Benvitimod, Inhibitor, inhibit, GSK 2894512, GSK2894512, GSK-2894512, WBI 1001, WBI1001, WBI-1001, Tapinarof
Field of Research
Immunology & Inflammation, Metabolism Research
Purity
99.64% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (7.86 mM) ; DMSO:55 mg/mL (216.26 mM)
Smiles
CC (C) c1c (O) cc (\C=C\c2ccccc2) cc1O
Molecular Formula
C17H18O2
Molecular Weight
254.32
Storage Conditions
-20°C
Notes
For research use only.

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

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CatalogName
BA5839-10Tapinarof
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A19285-500Tapinarof 500mg
A19285-100Tapinarof 100mg
A19285-10Tapinarof 10mg
A19285-2Tapinarof 2mg
CS-O-51500Tapinarof-d5

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