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CAY10789

CAT: 0013-GTR19188038-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188038-02Size:5 mg
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Description
CAY10789 is a dual-function small molecule acting as a potent CysLT1R antagonist and a GPBAR1 agonist. It demonstrates anti-inflammatory effects in vitro by reducing U937 cell adhesion to HAECs and TNF-α expression. With favorable metabolic stability and pharmacokinetics, it is a useful research tool for studying colitis and metabolic syndromes.
CAS Number
123226-28-8
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
C (OC1=CC (CO) =CC=C1) C2=NC3=C (C=C2) C=CC=C3
Molecular Formula
C17H15NO2
Molecular Weight
265.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenemethanol, 3-(2-quinolinylmethoxy)-
CAS Number123226-28-8
PubChem CID14650410
IUPAC Name[3-(quinolin-2-ylmethoxy)phenyl]methanol
Molecular FormulaC17H15NO2
Molecular Weight265.31
XLogP2.8
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity297
SMILES
C1=CC=C2C(=C1)C=CC(=N2)COC3=CC=CC(=C3)CO
InChI
InChI=1S/C17H15NO2/c19-11-13-4-3-6-16(10-13)20-12-15-9-8-14-5-1-2-7-17(14)18-15/h1-10,19H,11-12H2
InChIKey
FARMNDXIOAHJMF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanol, 3-(2-quinolinylmethoxy)-
CAS: 123226-28-8
CID: 14650410
Formula: C17H15NO2
MW: 265.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.31
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass265.110278721
Monoisotopic Mass265.110278721
Topological Polar Surface Area42.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity297
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

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