Products for Research Use Only
RegisterLogin

KY-226

CAT: 1568-C07019-02Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:1568-C07019-02Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
1621673-53-7
SKU
C07019-5mg
Target
Phosphatase
Applications
Metabolism
Smiles
CCCCCCS (=O) (=O) NC (=O) C1=CC=C (C=C1) CSCC2=CC=C (C=C2) C3=CC=CC=C3
Molecular Formula
C27H31NO3S2
Additionnal Information
KY-226 is a potent, selective, orally active and allosteric inhibitor of protein tyrosine phosphatase 1B (PTP1B) with IC50 of 0.28 μM for human PTP1B activity. KY-226 exerts anti-diabetic and anti-obesity effects by enhancing insulin and leptin signaling, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

N-hexylsulfonyl-4-[(4-phenylphenyl)methylsulfanylmethyl]benzamide
CAS Number1621673-53-7
PubChem CID76955652
IUPAC NameN-hexylsulfonyl-4-[(4-phenylphenyl)methylsulfanylmethyl]benzamide
Molecular FormulaC27H31NO3S2
Molecular Weight481.7
XLogP6.7
Topological Polar Surface Area96.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity653
SMILES
CCCCCCS(=O)(=O)NC(=O)C1=CC=C(C=C1)CSCC2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C27H31NO3S2/c1-2-3-4-8-19-33(30,31)28-27(29)26-17-13-23(14-18-26)21-32-20-22-11-15-25(16-12-22)24-9-6-5-7-10-24/h5-7,9-18H,2-4,8,19-21H2,1H3,(H,28,29)
InChIKey
MKXMABKUVSOEJF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-hexylsulfonyl-4-[(4-phenylphenyl)methylsulfanylmethyl]benzamide
CAS: 1621673-53-7
CID: 76955652
Formula: C27H31NO3S2
MW: 481.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight481.7
XLogP36.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count12
Exact Mass481.17453620
Monoisotopic Mass481.17453620
Topological Polar Surface Area96.9 Ų
Heavy Atom Count33
Formal Charge0
Complexity653
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

Related Products

CatalogName
C02059KY-05009
C02059-5mgKY-05009

Alternative Products

CatalogName
MBS3610912-01KY-226
566859-01KY
037653KY, NT (KY, Kyphoscoliosis peptidase)
MBS6314975-01KY, NT (KY, Kyphoscoliosis peptidase) (AP)
BA2865-10KY-05009
HY-124764KY-04031
HY-117218KY-04045
T201482-01KY-455
453086-01KY 02111
T39508-01KY-02327

Popular Products