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MMP-9-IN-7

CAT: 0804-HY-153913-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-153913-01Size:1 mg
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Description
MMP-9-IN-7 is a potent MMP9 inhibitor with an IC50 of 0.52 μM in proMMP9/MMP3 P126 activation assay. MMP-9-IN-7 is extracted from patent WO2012162468 (example 59), and can be used for MMP9/MMP13 mediated syndrome research[1].
CAS Number
333746-76-2
UNSPSC
12352005
Hazard Statement
H302-H315-H319
Target
MMP
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/mmp-9-in-7.html
Solubility
10 mM in DMSO
Smiles
O=C(C)NC1=NC(C)=C(C2=CSC(NC3=CC(Cl)=CC=C3OC)=N2)S1
Molecular Formula
C16H15ClN4O2S2
Molecular Weight
394.90
Precautions
P264-P270-P280-P302+P352-P305+P351+P338-P330-P362+P364-P501
References & Citations
[1]Paul Francis Jackson, et al. Thiazol derivatives as pro -matrix metalloproteinase inhibitors. Patent WO2012162468.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MMP-9

Chemical Information

Mmp-9-IN-7
CAS Number333746-76-2
PubChem CID1144670
IUPAC NameN-[5-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
Molecular FormulaC16H15ClN4O2S2
Molecular Weight394.9
XLogP4.1
Topological Polar Surface Area133
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count25
Formal Charge0
Complexity475
SMILES
CC1=C(SC(=N1)NC(=O)C)C2=CSC(=N2)NC3=C(C=CC(=C3)Cl)OC
InChI
InChI=1S/C16H15ClN4O2S2/c1-8-14(25-16(18-8)19-9(2)22)12-7-24-15(21-12)20-11-6-10(17)4-5-13(11)23-3/h4-7H,1-3H3,(H,20,21)(H,18,19,22)
InChIKey
AGTZTRPBFSCFQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mmp-9-IN-7
CAS: 333746-76-2
CID: 1144670
Formula: C16H15ClN4O2S2
MW: 394.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight394.9
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass394.0324958
Monoisotopic Mass394.0324958
Topological Polar Surface Area133 Ų
Heavy Atom Count25
Formal Charge0
Complexity475
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

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