(2R,3R,4R,5S)-N,3,4,5-tetrahydroxy-1-[4-(phenoxy)phenyl]sulfonylpiperidine-2-carboxamide - Moligand™ , Inhibitor of MMP9, CAS No.R608840, Inhibitor of MMP9

CAS: R608840 Cat. No.: R608840 PubChem CID: 9910222

GRADE & PURITY Moligand™

Synonyms

compound 1a

Storage

Room temperature

Specifications

Synonyms

compound 1a

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of MMP9

Names and Identifiers

• Canonical Smiles: ONC(=O)[C@H]1[C@@H](O)[C@H](O)[C@H](CN1S(=O)(=O)c1ccc(cc1)Oc1ccccc1)O
• IUPAC Name: (2R,3R,4R,5S)-N,3,4,5-tetrahydroxy-1-[4-(phenoxy)phenyl]sulfonylpiperidine-2-carboxamide
• InChIKey: WLWNRAWQDZRXMB-YLFCFFPRSA-N
• INCHI: 1S/C18H20N2O8S/c21-14-10-20(15(18(24)19-25)17(23)16(14)22)29(26,27)13-8-6-12(7-9-13)28-11-4-2-1-3-5-11/h1-9,14-17,21-23,25H,10H2,(H,19,24)/t14-,15+,16+,17+/m0/s1
• Isomeric SMILES: C1[C@@H]([C@H]([C@@H]([C@@H](N1S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3)C(=O)NO)O)O)O
• PubChem CID: 9910222

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylethers

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Alpha amino acid amides Diarylethers Benzenesulfonamides Piperidinecarboxamides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Organosulfonamides Sulfonyls Hydroxamic acids 1,2-diols Secondary alcohols Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Alpha-amino acid amide - Diaryl ether - Alpha-amino acid or derivatives - Benzenesulfonamide - 2-piperidinecarboxamide - Piperidinecarboxamide - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Organosulfonic acid amide - Piperidine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary alcohol - 1,2-diol - Hydroxamic acid - Organoheterocyclic compound - Polyol - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MMP1 Tchem Interstitial collagenase (2 Activities)

Discover Target: MMP1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP9 Tchem Matrix metalloproteinase-9 (4 Activities)

Discover Target: MMP9

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ADAM17 Tchem Disintegrin and metalloproteinase domain-containing protein 17 (4 Activities)

Discover Target: ADAM17

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP3 Tchem Stromelysin-1 (2 Activities)

Discover Target: MMP3

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

MMP3 Tchem Matrix metalloproteinase 3 (3433 Activities)

Discover Target: MMP3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Adam17 ADAM17 (14 Activities)

Discover Target: Adam17

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mmp9 Matrix metalloproteinase 9 (38 Activities)

Discover Target: Mmp9

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action