Basic information
- CAS
161314-17-6- Standard SMILES
COc1ccc(S(=O)(=O)N(CC(=O)NO)CC(C)C)cc1- InChIKey
JIRXORZYIXSWOB-UHFFFAOYSA-N- Molecular formula
- C13H20N2O5S
- Average molar mass
- 316.38 g/mol
- Monoisotopic mass
- 316.10929292
Names & identifiers
- Preferred name
- N-isobutyl-N-(4-methoxyphenylsulfonyl)glycyl hydroxamic acid
- IUPAC
- N-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamide
- English name
- AcetaMide, N-hydroxy-2-[[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)aMino]-
- Molecular formula
- C13H20N2O5S
- Molecular weight
- 316.37
Names & synonyms
N-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACIDn-isobutyl-n-(4-methoxyphenylsulfonyl)glycyl hydroxamic acidN-hydroxy-2-[N-(2-methylpropyl)4-methoxybenzenesulfonamido]acetamideN-hydroxy-2-(N-(2-methylpropyl)4-methoxybenzenesulfonamido)acetamideRefChem:163594NNGH161314-17-6mmp-3 inhibitor ii9P3H27MP46N-Hydroxy-2-((N-isobutyl-4-methoxyphenyl)sulfonamido)acetamideN-hydroxy-2-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]acetamideUNII-9P3H27MP46
Show more names
NNGH, Matrix metalloprotease (MMP) inhibitorMMP-3 Inhibitor II - CAS 161314-17-6 - CalbiochemMMP Inhibitor Set I - CAS 161314-17-6 - CalbiochemN-hydroxy-2-[N-(2-methylpropyl)-4-methoxybenzenesulfonamido]acetamideAcetaMide, N-hydroxy-2-[[(4-Methoxyphenyl)sulfonyl](2-Methylpropyl)aMino]-
CHEMBL-3119322-((4-Methoxyphenyl)sulfonyl-(2-methylpropyl)amino)-N-oxidanyl-ethanamideN-hydroxy-2-((4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino)acetamideAKOS040744915CS-0077845N-Hydroxy-2-(((4-methoxyphenyl)sulfonyl)(2-methylpropyl)amino)acetamideAcetamide, N-hydroxy-2-(((4-methoxyphenyl)sulfonyl)(2-methylpropyl)amino)-NGH
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Physicochemical properties
- Melting point
- 125 · 125-126 °C
- Density
- 1.271 · 1.271±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- 15 mg/mL, · DMSO: soluble15mg/mL, clear
- form
- White solid
- pka
- 8.98 · 8.98±0.20(Predicted)
- color
- white to beige
- Stability
- 1 year · Stable for 1 year from date of purchase as supplied. Solutions in DMSO or ethanol may be stored at -20°C for up to 3 months.
- 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
- SMILES
- COc1ccc(cc1)S(=O)(=O)N(CC(C)C)CC(=O)NO
- FDA UNII
- 9 P3H27MP46 · 9P3H27MP46
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionNNGH is a cell-permeable, broad-spectrum inhibitor of matrix metalloproteinases (MMPs). It blocks the activity of MMP-8, -9, -12, -13, and -20 with Ki values of 9, 2.6, 4.3, 3.1, and 17 nM, respectively. It also inhibits MMP-1, -3, -7, and -10 with Ki values of 0.17, 0.13, 13, and 0.1 μM, respectively. It is commonly used to study the role of MMP-3 (stromelysin 1) in biological systems.
UsesMMP-3 Inhibitor II is a cell-permeable, broad-spectrum inhibitor of matrix metalloproteinases (MMPs). It blocks the activity of MMP-8, -9, -12, -13, and -20 with Ki values of 9, 2.6, 4.3, 3.1, and 17 nM, respectively. It also inhibits MMP-1, -3, -7, and -10 with Ki values of 0.17, 0.13, 13, and 0.1 μM, respectively. It is commonly used to study the role of MMP-3 (stromelysin 1) in biological systems.[Cayman Chemical]
UsesNNGH acts as a matrix metalloproteinase (MMP) inhibitor affecting the degredation of all the components of the extracellular matrix. Thought to be crucial for agressive processes tumor metastasis and angiogenesis.
General DescriptionContains 5 mg each of MMP-2/MMP-9 Inhibitor I (Cat. No. 444241) and MMP-3 Inhibitor II (Cat. No. 444225), and 1 mg each of GM 6001 (Cat. No. 364205), GM 6001, Negative Control (Cat. No. 364210), and MMP-8 Inhibitor I (Cat. No. 444237).
Suppliers28 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
Aladdin Scientific[email protected]
上海微佳禾生物科技有限公司17502176150; 17502176150 · [email protected]
Related reactions
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Compound notes
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