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NVP-QAV-680

CAT: 0931-T28221-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28221-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
872365-16-7
Target
Others, Prostaglandin Receptor
Related Pathways
Immunology/Inflammation, GPCR/G Protein, Others
Bioactivity
NVP-QAV-680 is a potent and selective antagonist of CRTh2 receptor. NVP-QAV-680 has nM functional potency for inhibition of CRTh2 driven human eosinophil and Th2 lymphocyte activation in vitro.
Smiles
C(N1C=2C(C(CC(O)=O)=C1C)=CC=CN2)C3=CC=C(S(C)(=O)=O)C=C3
Molecular Formula
C18H18N2O4S
Molecular Weight
358.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Qav-680

QAV680 has been used in trials studying the treatment of Asthma, Allergic Rhinitis, and Seasonal Allergic Rhinitis.

CAS Number872365-16-7
PubChem CID11508736
IUPAC Name2-[2-methyl-1-[(4-methylsulfonylphenyl)methyl]pyrrolo[2,3-b]pyridin-3-yl]acetic acid
Molecular FormulaC18H18N2O4S
Molecular Weight358.4
XLogP2
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity580
SMILES
CC1=C(C2=C(N1CC3=CC=C(C=C3)S(=O)(=O)C)N=CC=C2)CC(=O)O
InChI
InChI=1S/C18H18N2O4S/c1-12-16(10-17(21)22)15-4-3-9-19-18(15)20(12)11-13-5-7-14(8-6-13)25(2,23)24/h3-9H,10-11H2,1-2H3,(H,21,22)
InChIKey
YOPFAMROKXHVCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Qav-680
CAS: 872365-16-7
CID: 11508736
Formula: C18H18N2O4S
MW: 358.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight358.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass358.09872823
Monoisotopic Mass358.09872823
Topological Polar Surface Area97.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity580
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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CatalogName
MBS5777914NVP-QAV-680
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BA8759-1NVP-QAV-572
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A16273-50NVP-QAV-572 50mg
A16273-100NVP-QAV-572 100mg
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A16273-5NVP-QAV-572 5mg
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