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· · COA & SDS available for every product · Same-day shipping on in-stock items C3 - Moligand™, ≥98%(HPLC) , Inhibitor of mPGES1, CAS No.1268709-57-4, Inhibitor of mPGES1
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC) Synonyms
N-Cyclopentyl-1-[5,6-dimethyl-1-(1-methylethyl)-1H-benzimidazol-2-yl]-4-piperidinecarboxamide
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98%(HPLC) Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
N-Cyclopentyl-1-[5, 6-dimethyl-1-(1-methylethyl)-1H-benzimidazol-2-yl]-4-piperidinecarboxamide
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
Selective microsomal prostaglandin E synthase 1 (mPGES-1) inhibitor (IC50values are 90 and 900 nM for rat and human mPGES-1, respectively). Displays selectivity for mPGES-1 over COX-1, COX-2, PGIS, hPGDS and iPGDS (% inhibition values are 15, 18, 0, 0 and
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of mPGES1
Names and Identifiers Canonical Smiles CC1=CC2=C(C=C1C)N(C(=N2)N3CCC(CC3)C(=O)NC4CCCC4)C(C)C IUPAC Name N-cyclopentyl-1-(5,6-dimethyl-1-propan-2-ylbenzimidazol-2-yl)piperidine-4-carboxamide InChIKey FPPVJOTXZIRXTF-UHFFFAOYSA-N INCHI 1S/C23H34N4O/c1-15(2)27-21-14-17(4)16(3)13-20(21)25-23(27)26-11-9-18(10-12-26)22(28)24-19-7-5-6-8-19/h13-15,18-19H,5-12H2,1-4H3,(H,24,28) Isomeric SMILES CC1=CC2=C(C=C1C)N(C(=N2)N3CCC(CC3)C(=O)NC4CCCC4)C(C)C Molecular Weight 382.54 Reaxy-Rn 21287154 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21287154&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Benzimidazoles Subclass Not available Intermediate Tree Nodes Not available Direct Parent Benzimidazoles Alternative Parents Piperidinecarboxamides Dialkylarylamines N-substituted imidazoles Benzenoids Aminoimidazoles Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Benzimidazole - Piperidinecarboxamide - Dialkylarylamine - Aminoimidazole - Benzenoid - Piperidine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound Description 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:DMSO, Max Conc. mg/mL: 19.13, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 38.25, Max Conc. mM: 100 Molecular Weight 382.500 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 382.273 Da Monoisotopic Mass 382.273 Da Topological Polar Surface Area 50.200 Ų Heavy Atom Count 28 Formal Charge 0 Complexity 539.000 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
Documents & Articles Citations of This Product References 1. Manman Jin, Jinkai Wang, Bing Wang, Zhenmei Guo, Zhiguo Lv. (2018) Highly effective green oxidation of aldehydes catalysed by recyclable tungsten complex immobilized in organosilanes-modified SBA-15. MICROPOROUS AND MESOPOROUS MATERIALS, [PMID: [10.1016/j.micromeso.2018.10.021 ] 2. Yao Sun, Zhaobing Guan, Hongwei Cai, Yiyong Huang, Yawei Lin, Xiaosong Hu. (2017) Highly sensitive method for aldehydes detection: Application to furfurals analysis in raisin and bovine milk powder. ANALYTICA CHIMICA ACTA, [PMID:28916039 ] [10.1016/j.aca.2017.08.032 ] 3. Wenqing Zhang, Hao Zhu, Wenjie Xie, Chuanyuan Du, Xiuqiang Fang, Ruiming Zhang, Xiaosong Hu, Yawei Lin. (2024) Highly sensitive analysis of fatty aldehydes in vegetable oils using a novel coumarin-based fluorescent probe by HPLC for quality control. MICROCHEMICAL JOURNAL, [PMID: [10.1016/j.microc.2024.111180 ]
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