Elubrixin
Basic information
- CAS
688763-64-6- Standard SMILES
O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCNCC2)c1O)Nc1cccc(F)c1Cl- InChIKey
YQYFEGTYCUQBEI-UHFFFAOYSA-N- Molecular formula
- C17H17Cl2FN4O4S
- Average molar mass
- 463.3 g/mol
- Monoisotopic mass
- 462.0331598
Overview
Elubrixin has been used in trials studying the treatment of Cystic Fibrosis, Colitis, Ulcerative, and Chronic Obstructive Pulmonary Disease (COPD).
Names & identifiers
- Preferred name
- Elubrixin
- IUPAC
- 1-(2-chloro-3-fluorophenyl)-3-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea
- English name
- GSK-656933)
- Molecular formula
- C17H17Cl2FN4O4S
- Molecular weight
- 463.31
Names & synonyms
Elubrixin688763-64-6SB-656933Elubrixin [USAN]SB-656933-AAFElubrixinaElubrixineMW2AIJ8USPElubrixin [USAN:INN]Elubrixin (USAN)SB656933ELUBRIXIN [INN]
Show more names
GSK-656933)Elubrixin (SB-656933Elubrixin, 10 mM in DMSON-[4-chloro-2-hydroxy-3-(piperazine-1-sulfonyl)phenyl]-N'-(2-chloro-3-fluorophenyl)ureaUrea, N-(2-chloro-3-fluorophenyl)-N'-[4-chloro-2-hydroxy-3-(1-piperazinylsulfonyl)phenyl]-airway,Elubrixin,Inhibitor,inhibit,Interleukin Related,CXCR,SB 656933,IL-8,CXC chemokine receptors,neutrophil-mediated,CXCR2,anti-inflammatory,SB656933,CD11b,bowel
ELUBRIXIN [WHO-DD]DTXSID60218962SB 656933elubrixinum1-(4-chloro-2-hydroxy-3-(piperazine-1-sulfonyl)phenyl)-3-(2-chloro-3-fluorophenyl)urea1-[4-chloro-2-hydroxy-3-(piperazine-1-sulfonyl)phenyl]-3-(2-chloro-3-fluorophenyl)ureaRefChem:590725DTXCID10141453
Database identifiers
- CAS
688763-64-6- PubChem CID
- 10479502
- DTXSID
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 677
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Density
- 1.609 · 1.609±0.06 g/cm3(Predicted)
- pka
- 5.98 · 5.98±0.10(Predicted)
- FDA UNII
- 2 AIJ8USP · MW2AIJ8USP
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 361 · H361-H373
- Precautionary statements
- 260 · P260-P314-P501-P201-P202-P281-P308+P313-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H361 (100%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]
P203, P260, P280, P318, P319, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- Hazard statements
- H361-H373
- Precautionary statements
- P260-P314-P501-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesElubrixin (SB-656933) is a potent, selective, competitive, reversible and orally active CXCR2 antagonist and an IL-8 receptor antagonist. Elubrixin inhibits neutrophil CD11b upregulation (IC50 of 260.7 nM) and shape change (IC50 of 310.5 nM). Elubrixin has the potential for inflammatory diseases research, such as inflammatory bowel disease and airway inflammation[1][2][3].
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Compound notes
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