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Hit 14

CAT: 0013-GTR19236330-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236330-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hit 14 is a potent CXCR4 inhibitor (IC50 = 254 nM) that impedes the migration and invasion of MDA-MB-231 cells in vitro by suppressing Akt phosphorylation. It also demonstrates anti-inflammatory and anti-metastatic potential, evidenced by its ability to reduce ear swelling and tissue damage in murine models.
CAS Number
440338-68-1
Field of Research
Cell Biology, Immunology & Inflammation, Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=S (=O) (NCC1OCCC1) C2=CC=C (OC3=CC=C (C=C3) S (=O) (=O) NCC4OCCC4) C=C2
Molecular Formula
C22H28N2O7S2
Molecular Weight
496.60
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(tetrahydro-2-furanylmethyl)-4-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenoxy)benzenesulfonamide
CAS Number440338-68-1
PubChem CID25039232
IUPAC NameN-(oxolan-2-ylmethyl)-4-[4-(oxolan-2-ylmethylsulfamoyl)phenoxy]benzenesulfonamide
Molecular FormulaC22H28N2O7S2
Molecular Weight496.6
XLogP2.2
Topological Polar Surface Area137
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count33
Formal Charge0
Complexity741
SMILES
C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)S(=O)(=O)NCC4CCCO4
InChI
InChI=1S/C22H28N2O7S2/c25-32(26,23-15-19-3-1-13-29-19)21-9-5-17(6-10-21)31-18-7-11-22(12-8-18)33(27,28)24-16-20-4-2-14-30-20/h5-12,19-20,23-24H,1-4,13-16H2
InChIKey
JLXQRRFYTVITNY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(tetrahydro-2-furanylmethyl)-4-(4-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}phenoxy)benzenesulfonamide
CAS: 440338-68-1
CID: 25039232
Formula: C22H28N2O7S2
MW: 496.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight496.6
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass496.13379358
Monoisotopic Mass496.13379358
Topological Polar Surface Area137 Ų
Heavy Atom Count33
Formal Charge0
Complexity741
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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