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ChemicalBook--->CAS DataBase List--->502887-71-0

502887-71-0

502887-71-0 Structure

502887-71-0 Structure
IdentificationBack Directory
[Name]

MMP-9-IN-1
[CAS]

502887-71-0
[Synonyms]

OUN87710
MMP-9-IN-1
Acetamide, N-[4-(difluoromethoxy)phenyl]-2-[(1,6-dihydro-6-oxo-4-propyl-2-pyrimidinyl)thio]-
[Molecular Formula]

C16H17F2N3O3S
[MDL Number]

MFCD09276885
[MOL File]

502887-71-0.mol
[Molecular Weight]

369.39
Chemical PropertiesBack Directory
[density ]

1.37±0.1 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO: 125 mg/mL (338.40 mM)
[form ]

Solid
[pka]

7.80±0.50(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Hazard InformationBack Directory
[Definition]

ChEBI: MMP-9-IN-1 is a secondary carboxamide resulting from the formal condensation of the carboxy group of [(4-oxo-6-propyl-1,4-dihydropyrimidin-2-yl)sulfanyl]acetic acid with the amino group of 4-(difluoromethoxy)aniline. It is a specific matrix metalloproteinase-9 (MMP-9) inhibitor. It has a role as an EC 3.4.24.35 (gelatinase B) inhibitor and an antineoplastic agent. It is an organofluorine compound, an aromatic compound, a pyrimidone, an organic sulfide and a secondary carboxamide.
[Biological Activity]

MMP-9-IN-1 (OUN87710) is a specific inhibitor of matrix metalloproteinase-9 (MMP-9). MMP-9-IN-1 selectively targets the heme (PEX) domain of MMP-9 with a Kd of 2.1 μM.
[in vivo]

MMP-9-IN-1 (compound 2; 20 mg/kg; intraperitoneal and intratumoral injection alternately; 6 days/week; for 14 weeks) results in a profound delay in tumor growth in NCR-Nu mice bearing MDA-MB-435/GFP tumor.
MMP-9-IN-1 inhibits cancer cell metastasis in vivo.

Animal Model: 4-5 week-old female NCR-Nu mice bearing MDA-MB-435/GFP tumor
Dosage: 20 mg/kg
Administration: Intraperitoneal and intratumoral injection alternately; 6 days/week; for 14 weeks,
Result: Resulted in a profound delay in tumor growth.
Inhibited cancer cell metastasis.
[target]

TargetValue
MMP-9
(Cell-free assay)
2.1 μM(Kd)
[storage]

Store at -20°C
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