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· · COA & SDS available for every product · Same-day shipping on in-stock items A 33 - ≥98%(HPLC) , CAS No.915082-52-9
Synonyms
2-[4-[[2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid | 4-[[2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-4-pyrimidinyl]amino]-benzeneacetic acid | 2-(4-{[2-(5-Chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)ace
Shipped In
Ice chest + Ice pads
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Why this grade ≥98%(HPLC) 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
2-[4-[[2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-pyrimidin-4-yl]amino]phenyl]acetic acid | 4-[[2-(5-Chloro-2-thienyl)-5-ethyl-6-methyl-4-pyrimidinyl]amino]-benzeneacetic acid | 2-(4-{[2-(5-Chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino}phenyl)ace
Specifications & Purity
≥98%(HPLC)
Biochemical and Physiological Mechanisms
Potent and selective PDE4B inhibitor (IC50= 15 nM); exhibits >100-fold selectivity for PDE4B over 4D. Regulates cAMP in inflammatory cells. Inhibits LPS-induced TNF-α production and neutrophil accumulation in mouse lungs. Reduces microglial and neutrophil
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 528762967 Canonical Smiles CCC1=C(N=C(N=C1NC2=CC=C(C=C2)CC(=O)O)C3=CC=C(S3)Cl)C IUPAC Name 2-[4-[[2-(5-chlorothiophen-2-yl)-5-ethyl-6-methylpyrimidin-4-yl]amino]phenyl]acetic acid InChIKey FDVSPBLZPJMXFV-UHFFFAOYSA-N INCHI 1S/C19H18ClN3O2S/c1-3-14-11(2)21-19(15-8-9-16(20)26-15)23-18(14)22-13-6-4-12(5-7-13)10-17(24)25/h4-9H,3,10H2,1-2H3,(H,24,25)(H,21,22,23) Isomeric SMILES CCC1=C(N=C(N=C1NC2=CC=C(C=C2)CC(=O)O)C3=CC=C(S3)Cl)C Molecular Weight 387.88 Reaxy-Rn 12782923 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12782923&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 Benzenoids Class Benzene and substituted derivatives Subclass Aniline and substituted anilines Intermediate Tree Nodes Not available Direct Parent Aniline and substituted anilines Alternative Parents Aminopyrimidines and derivatives 2,5-disubstituted thiophenes Imidolactams Aryl chlorides Heteroaromatic compounds Amino acids Secondary amines Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Aniline or substituted anilines - Aminopyrimidine - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety. 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 DMSO: 2 mg/mL, clear Molecular Weight 387.900 g/mol XLogP3 5.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 6 Exact Mass 387.081 Da Monoisotopic Mass 387.081 Da Topological Polar Surface Area 103.000 Ų Heavy Atom Count 26 Formal Charge 0 Complexity 476.000 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
Citations of This Product References 1. Shengyu Wang, Weifeng Liu, Dongjie Yang, Xueqing Qiu. (2018) Highly Resilient Lignin-Containing Polyurethane Foam. INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, [PMID: [10.1021/acs.iecr.8b05072 ]
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