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SX-576

CAT: 0013-GTR19208233-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19208233-02Size:50 mg
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Description
SX-576 is a potent, non-competitive boronic acid-based antagonist of CXCR1 and CXCR2 receptors, currently under investigation as a potential therapeutic for pulmonary inflammatory conditions. It is utilized in both in vitro and in vivo research to study neutrophil-mediated inflammation and related disease models.
CAS Number
1240494-14-7
Smiles
C (SC1=CC=C (C (NC2=CC=C (F) C=C2) =O) C=N1) C3=C (B (O) O) C=CC (OC (F) (F) F) =C3
Molecular Formula
C20H15BF4N2O4S
Molecular Weight
466.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2-(((5-((4-Fluorophenyl)carbamoyl)pyridin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronic acid
CAS Number1240494-14-7
PubChem CID46897163
IUPAC Name[2-[[5-[(4-fluorophenyl)carbamoyl]-2-pyridinyl]sulfanylmethyl]-4-(trifluoromethoxy)phenyl]boronic acid
Molecular FormulaC20H15BF4N2O4S
Molecular Weight466.2
Topological Polar Surface Area117
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count32
Formal Charge0
Complexity611
SMILES
B(C1=C(C=C(C=C1)OC(F)(F)F)CSC2=NC=C(C=C2)C(=O)NC3=CC=C(C=C3)F)(O)O
InChI
InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
InChIKey
AEDMWJARWOMJKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (2-(((5-((4-Fluorophenyl)carbamoyl)pyridin-2-yl)thio)methyl)-4-(trifluoromethoxy)phenyl)boronic acid
CAS: 1240494-14-7
CID: 46897163
Formula: C20H15BF4N2O4S
MW: 466.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight466.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass466.0781710
Monoisotopic Mass466.0781710
Topological Polar Surface Area117 Ų
Heavy Atom Count32
Formal Charge0
Complexity611
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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