for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
MMP3 inhibitor 1 is a potent and highly selective MMP-3 inhibitor with an IC 50 of 1 nM
In Vitro
MMP3 inhibitor 1 (Compound 27) inhibits MMP-1, MMP-2, MMP-9, and MMP-14 with IC 50 s of 14000, 529, 2420, and 20100 nM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:MMP-3 1 nM (IC 50 ) MMP-2 529 nM (IC 50 ) MMP-9 2420 nM (IC 50 ) MMP-1 14000 nM (IC 50 ) MMP-14 20100 nM (IC 50 )
| Canonical Smiles | CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)NO)C3=NC(=CC=C3)OCCO |
|---|---|
| IUPAC Name | N-hydroxy-2-[4-[4-[6-(2-hydroxyethoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanamide |
| InChIKey | YVBOXQAMDNUBQA-UHFFFAOYSA-N |
| INCHI | 1S/C23H31N3O6S/c1-16-15-18(7-8-19(16)20-5-4-6-21(24-20)32-14-13-27)17-9-11-26(12-10-17)33(30,31)23(2,3)22(28)25-29/h4-8,15,17,27,29H,9-14H2,1-3H3,(H,25,28) |
| Isomeric SMILES | CC1=C(C=CC(=C1)C2CCN(CC2)S(=O)(=O)C(C)(C)C(=O)NO)C3=NC(=CC=C3)OCCO |
| PubChem CID | 9956699 |
| Molecular Weight | 477.57 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Phenylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpiperidines |
| Alternative Parents | Phenylpyridines Toluenes Alkyl aryl ethers Organosulfonamides Organic sulfonamides Sulfonyls Heteroaromatic compounds Hydroxamic acids Azacyclic compounds Primary alcohols Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenylpiperidine - 2-phenylpyridine - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyridine - Organic sulfonic acid amide - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Hydroxamic acid - Azacycle - Carboxylic acid derivative - Ether - Alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl group. |
| External Descriptors | Not available |
| Activity Type | Activity Value -log(M) | Mechanism of Action | Activity Reference | Publications (PubMed IDs) |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Molecular Weight | 477.600 g/mol |
|---|---|
| XLogP3 | 1.800 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 477.193 Da |
| Monoisotopic Mass | 477.193 Da |
| Topological Polar Surface Area | 137.000 Ų |
| Heavy Atom Count | 33 |
| Formal Charge | 0 |
| Complexity | 748.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
