vipoglanstat - Moligand™ , Inhibitor of mPGES1, CAS No.1360622-01-0, Inhibitor of mPGES1

CAS: 1360622-01-0 Cat. No.: V614752 PubChem CID: 56649447

GRADE & PURITY Moligand™

Synonyms

SCHEMBL11970119 | vipoglanstat [INN] | GTPL12209 | GS248 | GS-248 | PFORUFFGGNOLPJ-QAQDUYKDSA-N | BI 1029539 | US8759537, 1 | UNII-FN57BDR4DA | Vipoglanstat | 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N

Storage

Room temperature

Specifications

同義語

SCHEMBL11970119 | vipoglanstat [INN] | GTPL12209 | GS248 | GS-248 | PFORUFFGGNOLPJ-QAQDUYKDSA-N | BI 1029539 | US8759537, 1 | UNII-FN57BDR4DA | Vipoglanstat | 2-[2,6-dichloro-3-[(2,2-dimethylpropanoylamino)methyl]anilino]-6-(2,2-difluoroethoxy)-1-methyl-N

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of mPGES1

名前と識別子

• カノニカル・スマイル: CC(C)(C)C(=O)NCc1c(c(c(cc1)Cl)Nc1nc2c(n1C)cc(c(c2)C(=O)NC1CCC(CC1)C(F)(F)F)OCC(F)F)Cl
• InChIKey: PFORUFFGGNOLPJ-UHFFFAOYSA-N
• INCHI: 1S/C30H34Cl2F5N5O3/c1-29(2,3)27(44)38-13-15-5-10-19(31)25(24(15)32)41-28-40-20-11-18(22(45-14-23(33)34)12-21(20)42(28)4)26(43)39-17-8-6-16(7-9-17)30(35,36)37/h5,10-12,16-17,23H,6-9,13-14H2,1-4H3,(H,38,44)(H,39,43)(H,40,41)
• 異性体SMILES: CC(C)(C)C(=O)NCC1=C(C(=C(C=C1)Cl)NC2=NC3=C(N2C)C=C(C(=C3)C(=O)NC4CCC(CC4)C(F)(F)F)OCC(F)F)Cl
• PubChem CID: 56649447

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Dichlorobenzenes Aniline and substituted anilines Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Aminoimidazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aniline or substituted anilines - 1,3-dichlorobenzene - Halobenzene - Chlorobenzene - Alkyl aryl ether - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Aminoimidazole - Heteroaromatic compound - Imidazole - Azole - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• 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

関連ターゲット（人間）

PTGES Tchem Prostaglandin E synthase (1 Activities)

Discover Target: PTGES

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

作用メカニズム

よくある質問

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

The CAS Number is 1360622-01-0. InChIKey PFORUFFGGNOLPJ-UHFFFAOYSA-N.

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 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.