MPPA - Moligand™ , Inhibitor of epoxide hydrolase 2, CAS No.M612009, Inhibitor of epoxide hydrolase 2

CAS: M612009 Cat. No.: M612009 PubChem CID: 133081968

GRADE & PURITY Moligand™

Synonyms

inhibitor 23

Storage

Room temperature

Specifications

Synonymes

inhibitor 23

Spécifications et pureté

Moligand™

Conditions de stockage de stockage

Room temperature

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of epoxide hydrolase 2

Noms et identifiants

• Sourires canoniques: CCC(=O)N1CCC(CC1)C(=O)NCc1ccc(cc1C(F)(F)F)OC
• IUPAC Name: N-{[4-methoxy-2-(trifluoromethyl)phenyl]methyl}-1-propanoylpiperidine-4-carboxamide
• InChIKey: IJNCJYJSEFDKFC-UHFFFAOYSA-N
• INCHI: 1S/C18H23F3N2O3/c1-3-16(24)23-8-6-12(7-9-23)17(25)22-11-13-4-5-14(26-2)10-15(13)18(19,20)21/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,22,25)
• Isomères SMILES: CCC(=O)N1CCC(CC1)C(=O)NCC2=C(C=C(C=C2)OC)C(F)(F)F
• PubChem CID: 133081968

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Piperidinecarboxamides N-acylpiperidines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Trifluoromethylbenzene - Piperidinecarboxamide - N-acyl-piperidine - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Piperidine - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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

Cibles associées (humaines)

EPHX2 Tchem Bifunctional epoxide hydrolase 2 (3 Activities)

Discover Target: EPHX2

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

PDE4B Tclin Phosphodiesterase 4B (2748 Activities)

Discover Target: PDE4B

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

EPHX2 Tchem Epoxide hydratase (3844 Activities)

Discover Target: EPHX2

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

Cibles associées (non humaines)

Rattus norvegicus (775804 Activities)

Explore this target

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

Ephx2 Epoxide hydrolase 2 (342 Activities)

Discover Target: Ephx2

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

Mécanismes d'action

Références

1. Xiong Zhang, Tingting Li, Qi Wang, Youyang Wang, Xiaodan Wu, Yingxue Jin, Wen Fang, Zhiqiang Wang.  (2024)  DFT-aided stereo-structural and electronic structure studies of poly-hydroxyl substituted chlorophyllous molecules.  Computational and Theoretical Chemistry,      [PMID:] [10.1016/j.comptc.2024.114819]

Foire aux questions

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is M612009. InChIKey IJNCJYJSEFDKFC-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.