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NNGH

CAT: 0931-T21735-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T21735-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
161314-17-6
Target
MMP
Related Pathways
Proteases/Proteasome
Purity
0.9841
Bioactivity
NNGH is a matrix metalloproteinase 3 (MMP-3) inhibitor with anticancer activity that counteracts the inhibitory effects of E2 and DHT on RANKL membrane binding.
Smiles
O=C(NO)CN(CC(C)C)S(=O)(=O)C1=CC=C(OC)C=C1
Molecular Formula
C13H20N2O5S
Molecular Weight
316.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
MBS565406-01NNGH
2569-5MMP-III Inhibitor, NNGH
TBI1045-5MGNNGH, MMP inhibitor (pan-specific)

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