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ARP-100

CAT: 0931-T14322-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T14322-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
704888-90-4
Target
MMP
Related Pathways
Proteases/Proteasome
Purity
0.9834
Bioactivity
ARP-100 (MMP-2 Inhibitor III) is a potent and selective matrix metalloproteinase MMP-2 inhibitor (IC50=12 nM) . ARP-100 interacts with the S1' pocket of MMP-2 and exhibits anti-invasive properties in an in vitro invasion Matrigel model. ARP-100 has low inhibitory activity against MMP-1 (>50 μM), MMP-3 (4.5 μM), MMP-7 (>50 μM) and MMP-9 (0.2 μM) [1][2].
Smiles
CC(C)ON(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Molecular Formula
C17H20N2O5S
Molecular Weight
364.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Arp-100
CAS Number704888-90-4
PubChem CID10044321
IUPAC NameN-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]acetamide
Molecular FormulaC17H20N2O5S
Molecular Weight364.4
XLogP2.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity518
SMILES
CC(C)ON(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)
InChIKey
PHGLPDURIUEELR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Arp-100
CAS: 704888-90-4
CID: 10044321
Formula: C17H20N2O5S
MW: 364.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight364.4
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass364.10929292
Monoisotopic Mass364.10929292
Topological Polar Surface Area104 Ų
Heavy Atom Count25
Formal Charge0
Complexity518
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