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NNGH

CAT: 0804-HY-119711-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-119711-02Size:5 mg
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Description
NNGH is a stromelysin-1 (MMP-3) inhibitor. MMP-3 is both a direct transcriptional target and a necessary contributor of the Wnt/β-catenin signaling pathway. Matrix metalloproteinases (MMPs) play a well-defined role in later stages of tumor progression[1].
CAS Number
161314-17-6
UNSPSC
12352005
Target
MMP
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/nngh.html
Purity
99.6
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
ONC(CN(CC(C)C)S(C1=CC=C(C=C1)OC)(=O)=O)=O
Molecular Formula
C13H20N2O5S
Molecular Weight
316.37
References & Citations
[1]Laurence Blavier, et al. Stromelysin-1 (MMP-3) is a target and a regulator of Wnt1-induced epithelial-mesenchymal transition (EMT) . Cancer Biol Ther. 2010 Jul 15;10 (2) :198-208.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CAS Number161314-17-6
PubChem CID448002
IUPAC NameN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
Molecular FormulaC13H20N2O5S
Molecular Weight316.38
XLogP1.2
Topological Polar Surface Area104
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count21
Formal Charge0
Complexity424
SMILES
CC(C)CN(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)OC
InChI
InChI=1S/C13H20N2O5S/c1-10(2)8-15(9-13(16)14-17)21(18,19)12-6-4-11(20-3)5-7-12/h4-7,10,17H,8-9H2,1-3H3,(H,14,16)
InChIKey
JIRXORZYIXSWOB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
CAS: 161314-17-6
CID: 448002
Formula: C13H20N2O5S
MW: 316.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight316.38
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass316.10929292
Monoisotopic Mass316.10929292
Topological Polar Surface Area104 Ų
Heavy Atom Count21
Formal Charge0
Complexity424
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

Alternative Products

CatalogName
T21735-01NNGH
2569-5MMP-III Inhibitor, NNGH
TBI1045-5MGNNGH, MMP inhibitor (pan-specific)

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