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Danirixin

CAT: 0013-GTR19160660-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19160660-01Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Danirixin (GSK-1325756) is a high-affinity, selective and reversible CXCR2 antagonist (IC50=12.5 nM, CXCL8) ; blocks the CD11b upregulation with pIC50 of 6.05 and 6.3, respectively, in rat and human whole-blood studies; blocks the influx of neutrophils into the lung in vivo in rats following aerosol lipopolysaccharide (ED50=1.4 mg/kg) ; orally active.COPD Phase 2 Clinical (In Vitro) :Danirixin is a small molecule, CXCR2 antagonist being evaluated as a potential anti-inflammatory medicine.
CAS Number
954126-98-8
Product Name Alternative
GSK-1325756
Purity
>98% (HPLC)
Solubility
DMSO: 8 mg/mL
Smiles
ClC (C (S ([C@H]1CCCNC1) (=O) =O) =C2O) =CC=C2NC (NC3=CC=CC (F) =C3C) =O
Molecular Formula
C19H21ClFN3O4S
Molecular Weight
441.9041
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Urea, N-[4-chloro-2-hydroxy-3-[ (3S) -3-piperidinylsulfonyl]phenyl]-N'- (3-fluoro-2-methylphenyl) -

Chemical Information

Danirixin

Danirixin has been used in trials studying the treatment and basic science of Virus Diseases, Nutritional Status, Pulmonary Disease, Chronic Obstructive, and Infections, Respiratory Syncytial Virus.

CAS Number954126-98-8
PubChem CID24780598
IUPAC Name1-[4-chloro-2-hydroxy-3-[(3S)-piperidin-3-yl]sulfonylphenyl]-3-(3-fluoro-2-methylphenyl)urea
Molecular FormulaC19H21ClFN3O4S
Molecular Weight441.9
XLogP3.1
Topological Polar Surface Area116
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity677
SMILES
CC1=C(C=CC=C1F)NC(=O)NC2=C(C(=C(C=C2)Cl)S(=O)(=O)[C@H]3CCCNC3)O
InChI
InChI=1S/C19H21ClFN3O4S/c1-11-14(21)5-2-6-15(11)23-19(26)24-16-8-7-13(20)18(17(16)25)29(27,28)12-4-3-9-22-10-12/h2,5-8,12,22,25H,3-4,9-10H2,1H3,(H2,23,24,26)/t12-/m0/s1
InChIKey
NGYNBSHYFOFVLS-LBPRGKRZSA-N
Chemical Structure
2D Structure
2D structure of Danirixin
CAS: 954126-98-8
CID: 24780598
Formula: C19H21ClFN3O4S
MW: 441.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.9
XLogP33.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass441.0925332
Monoisotopic Mass441.0925332
Topological Polar Surface Area116 Ų
Heavy Atom Count29
Formal Charge0
Complexity677
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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BA5293-1Danirixin
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A20792-25Danirixin 25mg
A20792-1Danirixin 1mg
A20792-100Danirixin 100mg
A20792-10Danirixin 10mg
A20792-5Danirixin 5mg
A20792-10mM-DDanirixin 10mM * 1mL in DMSO

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