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Quininib

CAT: 0013-GTR19196667-02Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196667-02Size:1 mg
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Description
Quininib is a dual CysLT1 and CysLT2 receptor antagonist with IC50 values of 1.2 μM and 52 μM, respectively. This small molecule exhibits anti-angiogenic and anti-tumor properties, making it a useful research tool for studying cancer biology and inflammation in both cellular and animal models.
CAS Number
143816-42-6
Product Name Alternative
Quininib
Field of Research
Immunology & Inflammation, Pharmacology & Drug Discovery
Purity
99.81% (May vary between batches)
Smiles
C (=C/C1=C (O) C=CC=C1) \C2=NC3=C (C=C2) C=CC=C3
Molecular Formula
C17H13NO
Molecular Weight
247.29
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Quininib

Quininib is a styrylquinoline that is trans-2-styrylquinoline in which the the phenyl group has been substituted at position 2 by a hydroxy group. It is an anti-angiogenic compound that exerts a dose-dependent antagonism of the cysteinyl leukotriene pathway, preferentially antagonising cysteinyl leukotriene receptor 1. The major species at pH 7.3. It has a role as an angiogenesis inhibitor. It is a styrylquinoline and a member of phenols. It is functionally related to a trans-2-styrylquinoline. It is a conjugate base of a quininib(1+).

CAS Number143816-42-6
PubChem CID135411330
IUPAC Name2-[(E)-2-quinolin-2-ylethenyl]phenol
Molecular FormulaC17H13NO
Molecular Weight247.29
XLogP4.1
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity314
SMILES
C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC=CC=C3O
InChI
InChI=1S/C17H13NO/c19-17-8-4-2-6-14(17)10-12-15-11-9-13-5-1-3-7-16(13)18-15/h1-12,19H/b12-10+
InChIKey
NXNDEWNGCMCWMA-ZRDIBKRKSA-N
Chemical Structure
2D Structure
2D structure of Quininib
CAS: 143816-42-6
CID: 135411330
Formula: C17H13NO
MW: 247.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.29
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass247.099714038
Monoisotopic Mass247.099714038
Topological Polar Surface Area33.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity314
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
T28487-01Quininib

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