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MMP-9-IN-3

CAT: 0804-HY-146216Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-146216Size:1 Each
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Description
MMP-9-IN-3 is a MMP-9 inhibitor (IC50: 5.56 nM) that forms hydrogen bond with MMP-9. MMP-9-IN-3 also inhibits AKT activity (IC50: 2.11 nM) . MMP-9-IN-3 shows cell cytotoxicity and induces cell apoptosis. MMP-9-IN-3 can be used in the research of cancers[1].
CAS Number
2581824-48-6
UNSPSC
12352005
Target
Akt; Apoptosis; MMP
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease; PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mmp-9-in-3.html
Solubility
10 mM in DMSO
Smiles
O=C(C(N(C(CC1=CC=CC=C1)=O)CC2=CC=CC=C2)C3=CC=CC=C3)NC4=CC=C(C=C4)[N+]([O-])=O
Molecular Formula
C29H25N3O4
Molecular Weight
479.53
References & Citations
[1]Mohammed Salah Ayoup, et al. Battle tactics against MMP-9; discovery of novel non-hydroxamate MMP-9 inhibitors endowed with PI3K/AKT signaling attenuation and caspase 3/7 activation via Ugi bis-amide synthesis. Eur J Med Chem. 2020 Jan 15;186:111875.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MMP-1; MMP-13; MMP-2; MMP-9

Chemical Information

Mmp-9-IN-3
CAS Number2581824-48-6
PubChem CID162663162
IUPAC Name2-[benzyl-(2-phenylacetyl)amino]-N-(4-nitrophenyl)-2-phenylacetamide
Molecular FormulaC29H25N3O4
Molecular Weight479.5
XLogP5.2
Topological Polar Surface Area95.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity713
SMILES
C1=CC=C(C=C1)CC(=O)N(CC2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C29H25N3O4/c33-27(20-22-10-4-1-5-11-22)31(21-23-12-6-2-7-13-23)28(24-14-8-3-9-15-24)29(34)30-25-16-18-26(19-17-25)32(35)36/h1-19,28H,20-21H2,(H,30,34)
InChIKey
FUXYTSOUUZCQPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mmp-9-IN-3
CAS: 2581824-48-6
CID: 162663162
Formula: C29H25N3O4
MW: 479.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight479.5
XLogP35.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass479.18450629
Monoisotopic Mass479.18450629
Topological Polar Surface Area95.2 Ų
Heavy Atom Count36
Formal Charge0
Complexity713
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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