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Elubrixin

CAT: 0931-T11179-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T11179-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
688763-64-6
Target
IL Receptor, CXCR, Interleukin
Related Pathways
GPCR/G Protein, Autophagy, Immunology/Inflammation
Purity
>99.99%
Bioactivity
Elubrixin (SB-656933) inhibits neutrophil CD11b upregulation (IC50 of 260.7 nM) and shape change (IC50 of 310.5 nM) . Elubrixin can be used for inflammatory diseases such as inflammatory bowel disease and airway inflammation. Elubrixin is a potent, selective, competitive, reversible and orally active CXCR2 antagonist and an IL-8 receptor antagonist.
Smiles
S(=O)(=O)(C1=C(O)C(NC(NC2=C(Cl)C(F)=CC=C2)=O)=CC=C1Cl)N3CCNCC3
Molecular Formula
C17H17Cl2FN4O4S
Molecular Weight
463.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Elubrixin

Elubrixin has been used in trials studying the treatment of Cystic Fibrosis, Colitis, Ulcerative, and Chronic Obstructive Pulmonary Disease (COPD).

CAS Number688763-64-6
PubChem CID10479502
IUPAC Name1-(2-chloro-3-fluorophenyl)-3-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea
Molecular FormulaC17H17Cl2FN4O4S
Molecular Weight463.3
XLogP2.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity677
SMILES
C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl
InChI
InChI=1S/C17H17Cl2FN4O4S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24/h1-5,21,25H,6-9H2,(H2,22,23,26)
InChIKey
YQYFEGTYCUQBEI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Elubrixin
CAS: 688763-64-6
CID: 10479502
Formula: C17H17Cl2FN4O4S
MW: 463.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight463.3
XLogP32.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass462.0331598
Monoisotopic Mass462.0331598
Topological Polar Surface Area119 Ų
Heavy Atom Count29
Formal Charge0
Complexity677
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
MBS5766581Elubrixin
KNB49543-01Elubrixin (tosylate)
HY-18263Elubrixin (hydrochloride)
MBS3606854-01Elubrixin tosylate
MBS5776972Elubrixin HCl
HY-18263CR-01Elubrixin (tosylate) (Standard)

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