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KP-457

CAT: 0804-HY-110397-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-110397-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KP-457 is a selective a disintegrin and metalloproteinase 17 (ADAM17) inhibitor, with higher selectivity for ADAM17 than for other MMPs and ADAM10, and IC50s are 11.1 nM (ADAM17), 748 nM (ADAM10), 717 nM (MMP2), 9760 nM (MMP3), 2200 nM (MMP8), 5410 nM (MMP9), 930 nM (MMP13), 2140 nM (MMP14), and 7100 nM (MMP17), respectively.
CAS Number
1365803-52-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
MMP
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/KP-457.html
Purity
99.18
Solubility
DMSO : 125 mg/mL (ultrasonic)
Smiles
CS(=O)(NCC1=CC=C(C(N(C=O)O)CS(=O)(C2=CC=C(OCC#CC)C=C2)=O)C=C1)=O
Molecular Formula
C21H24N2O7S2
Molecular Weight
480.55
Precautions
H302, H315, H319, H335
References & Citations
[1]Hirata S, et al. Selective Inhibition of ADAM17 Efficiently Mediates Glycoprotein Ibα Retention During Ex Vivo Generation of Human Induced Pluripotent Stem Cell-Derived Platelets. Stem Cells Transl Med. 2017 Mar;6 (3) :720-730.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
ADAM10; ADAM17; MMP-13; MMP-14; MMP-17; MMP-2; MMP-3; MMP-8; MMP-9

Chemical Information

N-{2-[4-(but-2-yn-1-yloxy)benzenesulfonyl]-1-[4-(methanesulfonamidomethyl)phenyl]ethyl}-N-hydroxyformamide
CAS Number1365803-52-6
PubChem CID56598918
IUPAC NameN-[2-(4-but-2-ynoxyphenyl)sulfonyl-1-[4-(methanesulfonamidomethyl)phenyl]ethyl]-N-hydroxyformamide
Molecular FormulaC21H24N2O7S2
Molecular Weight480.6
XLogP1.2
Topological Polar Surface Area147
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Heavy Atom Count32
Formal Charge0
Complexity865
SMILES
CC#CCOC1=CC=C(C=C1)S(=O)(=O)CC(C2=CC=C(C=C2)CNS(=O)(=O)C)N(C=O)O
InChI
InChI=1S/C21H24N2O7S2/c1-3-4-13-30-19-9-11-20(12-10-19)32(28,29)15-21(23(25)16-24)18-7-5-17(6-8-18)14-22-31(2,26)27/h5-12,16,21-22,25H,13-15H2,1-2H3
InChIKey
VIWDSTUVCAZZDF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-{2-[4-(but-2-yn-1-yloxy)benzenesulfonyl]-1-[4-(methanesulfonamidomethyl)phenyl]ethyl}-N-hydroxyformamide
CAS: 1365803-52-6
CID: 56598918
Formula: C21H24N2O7S2
MW: 480.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.6
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass480.10249346
Monoisotopic Mass480.10249346
Topological Polar Surface Area147 Ų
Heavy Atom Count32
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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BA8011-5KP-457
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A19622-100KP-457 100mg
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