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Tolindate

CAT: 0013-GTR19212266-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19212266-02Size:50 mg
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Description
Tolindate is a potent and selective agonist of the pregnane X receptor (PXR) with an antifungal EC50 of 8.3 μM. This small molecule is a valuable research tool for studying PXR-mediated pathways in drug metabolism, inflammation, and fungal infection models in both cellular and animal studies.
CAS Number
27877-51-6
Field of Research
Infectious Disease & Virology, Pharmacology & Drug Discovery
Smiles
O (C (N (C) C1=CC (C) =CC=C1) =S) C=2C=C3C (=CC2) CCC3
Molecular Formula
C18H19NOS
Molecular Weight
297.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tolindate

Tolindate is a member of indanes.

CAS Number27877-51-6
PubChem CID34051
IUPAC NameO-(2,3-dihydro-1H-inden-5-yl) N-methyl-N-(3-methylphenyl)carbamothioate
Molecular FormulaC18H19NOS
Molecular Weight297.4
XLogP5
Topological Polar Surface Area44.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity372
SMILES
CC1=CC(=CC=C1)N(C)C(=S)OC2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C18H19NOS/c1-13-5-3-8-16(11-13)19(2)18(21)20-17-10-9-14-6-4-7-15(14)12-17/h3,5,8-12H,4,6-7H2,1-2H3
InChIKey
ANJNOJFLVNXCHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tolindate
CAS: 27877-51-6
CID: 34051
Formula: C18H19NOS
MW: 297.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.4
XLogP35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass297.11873540
Monoisotopic Mass297.11873540
Topological Polar Surface Area44.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity372
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

Alternative Products

CatalogName
HY-148223Tolindate

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