MMP-9-IN-1 - ≥98% , CAS No.502887-71-0

CAS: 502887-71-0 Cat. No.: M412536 Molecular Weight: 369.39

GRADE & PURITY ≥98%

Synonyms

OUN87710Acetamide,N-​[4-​(difluoromethoxy)​phenyl]​-​2-​[(1,​6-​dihydro-​6-​oxo-​4-​propyl-​2-​pyrimidinyl)​thio]​-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

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

Targets

MMP-9 (Cell-free assay) 2.1 μM(Kd)

Specifications

Synonyms

OUN87710Acetamide, N-​[4-​(difluoromethoxy)​phenyl]​-​2-​[(1, ​6-​dihydro-​6-​oxo-​4-​propyl-​2-​pyrimidinyl)​thio]​-

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥98%

Product Properties

• ALogP: 3.389
• hba_count: 4
• HBD Count: 2
• Rotatable Bond: 8

Names and Identifiers

• Pubchem Sid: 504773289
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773289
• Canonical Smiles: CCCC1=CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC(F)F
• IUPAC Name: N-[4-(difluoromethoxy)phenyl]-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
• InChIKey: OLTRRVUORWPRGF-UHFFFAOYSA-N
• INCHI: 1S/C16H17F2N3O3S/c1-2-3-11-8-13(22)21-16(20-11)25-9-14(23)19-10-4-6-12(7-5-10)24-15(17)18/h4-8,15H,2-3,9H2,1H3,(H,19,23)(H,20,21,22)
• Isomeric SMILES: CCCC1=CC(=O)NC(=N1)SCC(=O)NC2=CC=C(C=C2)OC(F)F
• Molecular Weight: 369.39
• Reaxy-Rn: 60093174
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60093174&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: N-arylamides Phenoxy compounds Phenol ethers Alkylarylthioethers Pyrimidones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Anilide - Phenoxy compound - Aryl thioether - Phenol ether - N-arylamide - Pyrimidone - Alkylarylthioether - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl fluoride - Hydrocarbon derivative - Alkyl halide - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• 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)

HEK293 (82097 Activities)

Explore this target

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

Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 74 mg/mL (200.33 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 74
• DMSO(mM) Max Solubility: 200.330274235902
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 369.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 369.096 Da
• Monoisotopic Mass: 369.096 Da
• Topological Polar Surface Area: 105.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 547.000
• 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

References

1. Zhang Fenglan, Wang Tianyi, Wang Wenqiao, Lv Yaqian, Qu Yingshan, Liu Danping, Sun Xiaoyue, Kong Xiaoying, Wang Changyuan, Shi Jinsheng.  (2025)  ZnO colludes with C. acnes in healing delay and Scar hyperplasia by barrier destruction.  JOURNAL OF NANOBIOTECHNOLOGY,  23  (1): (1-21).  [PMID:40450290] [10.1186/s12951-025-03414-x]