ARP 100 - Moligand™, ≥97% , Inhibitor of MMP2, CAS No.704888-90-4, Inhibitor of MMP2

CAS: 704888-90-4 Cat. No.: A287330 Fórmula: C₁₇H₂₀N₂O₅S Peso molecular: 364.42

GRAU & PUREZA Moligand™, ≥97%

Synonyms

ARP 100|.beta.-D-Ribofuranose,3,5-tribenzoate|ARP-100|N-2-(Biphenyl-4-Ylsulfonyl)-N-2-(Isopropyloxy)-Acetohydroxamic Acid|MMP-2 Inhibitor III - CAS 704888-90-4|N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide|MMP-2 Inhibitor III|19-Nortestosterone phenyl propionate|N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]acetamide|ARP100|2-[(Biphenyl-4-sulfonyl)-isopropoxy-amino]-N-hydroxy-acetamide|Matrix Metalloproteinase-2 Inhibitor III|N-Hydroxy-2-(N-isopropoxy-[1,1'-biphenyl]-4-ylsulfonamido)acetamide|N-hydroxy-2-[N-(propan-2-yloxy)[1,1'-biphenyl]-4-sulfonamido]acetamide|N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)acetamide|2-[((1,1'-Biphenyl)-4-ylsulfonyl)-(1-methylethoxy)amino]-N-hydroxyacetamide

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Especificações

Sinónimos

ARP 100 | .beta.-D-Ribofuranose,3,5-tribenzoate | ARP-100 | N-2-(Biphenyl-4-Ylsulfonyl)-N-2-(Isopropyloxy)-Acetohydroxamic Acid | MMP-2 Inhibitor III - CAS 704888-90-4 | N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide | MMP-2 Inhibitor III | 19-Nortestosterone phenyl propionate | N-hydroxy-2-[(4-phenylphenyl)sulfon Show more

Especificações e pureza

Moligand™, ≥97%

Mecanismos bioquímicos e fisiológicos

Selective inhibitor of MMP-2 (IC50= 12 nM); displays selectivity over MMP-9, MMP-3, MMP-1 and MMP-7 (IC50values are 200, 4500, > 50000 and > 50000 nM respectively). Exhibits anti-invasive properties in HT1080 fibrosarcoma cells.

Condições de armazenamento de armazenamento

Store at 2-8°C,Desiccated

Enviado em

Wet ice

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

Pureza

≥97%

Nomes e identificadores

Pubchem Sid

508810313

Sorrisos canónicos

CC(C)ON(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

IUPAC Name

N-hydroxy-2-[(4-phenylphenyl)sulfonyl-propan-2-yloxyamino]acetamide

InChIKey

PHGLPDURIUEELR-UHFFFAOYSA-N

INCHI

1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20)

SMILES isoméricas

CC(C)ON(CC(=O)NO)S(=O)(=O)C1=CC=C(C=C1)C2=CC=CC=C2

Peso molecular

364.42

Reaxy-Rn

9930580

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9930580&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Benzenesulfonamides Alpha amino acids and derivatives Benzenesulfonyl compounds Organosulfonic acids and derivatives Aminosulfonyl compounds Hydroxamic acids N-organohydroxylamines Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Hydroxamic acid - Carboxylic acid derivative - N-organohydroxylamine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organosulfur compound - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

MMP13 Tchem Collagenase 3 (3 Activities)

Discover Target: MMP13

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

MMP9 Tchem Matrix metalloproteinase-9 (5 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)

MMP16 Tchem Matrix metalloproteinase-16 (1 Activities)

Discover Target: MMP16

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

MMP8 Tchem Neutrophil collagenase (1 Activities)

Discover Target: MMP8

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

MMP16 Tchem Matrix metalloproteinase 16 (81 Activities)

Discover Target: MMP16

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

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

MMP12 Tchem Matrix metalloproteinase 12 (1130 Activities)

Discover Target: MMP12

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

Alvos associados (não humanos)

Mmp13 Matrix metalloproteinase 13 (19 Activities)

Discover Target: Mmp13

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

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 36.44, Max Conc. mM: 100
• Sensibilidade: Light sensitive
• Peso molecular: 364.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 364.109 Da
• Monoisotopic Mass: 364.109 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 518.000
• 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