(R)-ND-336 - Moligand™ , Inhibitor of MMP14;Inhibitor of MMP2;Inhibitor of MMP9, CAS No.R613223, Inhibitor of MMP14;Inhibitor of MMP2;Inhibitor of MMP9

CAS: R613223 Cat. No.: R613223 PubChem CID: 118335773

GRADE & PURITY Moligand™

Storage

Room temperature

Specifications

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of MMP14;Inhibitor of MMP2;Inhibitor of MMP9

Names and Identifiers

• Canonical Smiles: NCc1ccc(cc1)Oc1ccc(cc1)S(=O)(=O)C[C@@H]1SC1
• IUPAC Name: [4-[4-[[(2R)-thiiran-2-yl]methylsulfonyl]phenoxy]phenyl]methanamine
• InChIKey: GRRDUDJQILRRES-OAHLLOKOSA-N
• INCHI: 1S/C16H17NO3S2/c17-9-12-1-3-13(4-2-12)20-14-5-7-16(8-6-14)22(18,19)11-15-10-21-15/h1-8,15H,9-11,17H2/t15-/m1/s1
• Isomeric SMILES: C1[C@@H](S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)CN
• PubChem CID: 118335773

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: Phenol ethers Sulfonyls Thiiranes Sulfenyl compounds Ethers Dialkylthioethers Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Phenol ether - Sulfonyl - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Thiirane - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - 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)

MMP14 Tchem Matrix metalloproteinase-14 (0 Activities)

Discover Target: MMP14

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

MMP9 Tchem Matrix metalloproteinase-9 (0 Activities)

Discover Target: MMP9

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

MMP2 Tchem 72 kDa type IV collagenase (0 Activities)

Discover Target: MMP2

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