SB-3CT - Moligand™, ≥98% , Inhibitor of MMP2;Inhibitor of MMP9, CAS No.292605-14-2, Inhibitor of MMP2;Inhibitor of MMP9

CAS: 292605-14-2 Cat. No.: S275790 Fórmula: C₁₅H₁₄O₃S₂ Peso molecular: 306.4 Número CE: 684-085-5 PubChem CID: 9883002

GRADE & PURITY Moligand™, ≥98%

Synonyms

CCG-267539 | SCHEMBL2684163 | Thiirane, 2-[[(4-phenoxyphenyl)sulfonyl]methyl]- | NCGC00024565-02 | AC-32656 | DTXSID70432359 | 2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane | MFCD09836266 | AS-67674 | STK980475 | 2-[(4-PHENOXYBENZENESULFONYL)METHYL]THIIRANE

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

CCG-267539 | SCHEMBL2684163 | Thiirane, 2-[[(4-phenoxyphenyl)sulfonyl]methyl]- | NCGC00024565-02 | AC-32656 | DTXSID70432359 | 2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane | MFCD09836266 | AS-67674 | STK980475 | 2-[(4-PHENOXYBENZENESULFONYL)METHYL]THIIRANE

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Potent, competitive and non-selective MMP-2 and MMP-9 inhibitor (K i values are 13.9 and 600 nM for MMP-2 and MMP-9 respectively). Does not alter the activity of MMP-1, MMP-3 or MMP-7 (K i values are 206 (MMP-1), 15 (MMP-3) and 96 (MMP-7) μM).

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of MMP2;Inhibitor of MMP9

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504765039

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765039

Sorrisos canónicos

C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

IUPAC Name

2-[(4-phenoxyphenyl)sulfonylmethyl]thiirane

InChIKey

LSONWRHLFZYHIN-UHFFFAOYSA-N

INCHI

1S/C15H14O3S2/c16-20(17,11-14-10-19-14)15-8-6-13(7-9-15)18-12-4-2-1-3-5-12/h1-9,14H,10-11H2

SMILES isoméricas

C1C(S1)CS(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

PubChem CID

9883002

Peso molecular

306.4

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Sulfones Thiiranes Dialkylthioethers Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Benzenesulfonyl group - Phenoxy compound - Phenol ether - Sulfone - Sulfonyl - Ether - Organoheterocyclic compound - Thiirane - Thioether - Dialkylthioether - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound
• Descrição: 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

Alvos associados (humanos)

MMP14 Tchem Matrix metalloproteinase-14 (2 Activities)

Discover Target: MMP14

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

MMP9 Tchem Matrix metalloproteinase-9 (6 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 (6 Activities)

Discover Target: MMP2

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

MMP8 Tchem Matrix metalloproteinase 8 (1942 Activities)

Discover Target: MMP8

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

MMP14 Tchem Matrix metalloproteinase 14 (1592 Activities)

Discover Target: MMP14

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

MMP7 Tchem Matrix metalloproteinase 7 (1073 Activities)

Discover Target: MMP7

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

MMP1 Tchem Matrix metalloproteinase-1 (7046 Activities)

Discover Target: MMP1

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

Liver microsomes (16955 Activities)

Explore this target

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

Liver (3974 Activities)

Explore this target

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

Alvos associados (não humanos)

Adam17 ADAM17 (14 Activities)

Discover Target: Adam17

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

Mmp2 Matrix metalloproteinase-2 (12 Activities)

Discover Target: Mmp2

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO to 25 mM and ethanol
• Sensibilidade: Heat sensitive
• Ponto de fusão (°C): 101 °C
• Peso molecular: 306.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 306.038 Da
• Monoisotopic Mass: 306.038 Da
• Topological Polar Surface Area: 77.100 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 401.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1