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· · COA & SDS available for every product · Same-day shipping on in-stock items FR 122047 hydrochloride - Moligand™, ≥98%(HPLC) , Inhibitor of COX-1, CAS No.130717-51-0, Inhibitor of COX-1
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
[4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride | 4-amino-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]pyrimidin-2(1H)-one | Q27077728 | 1-[[4,5-bis(4-me
Storage
Store at 2-8°C,Desiccated
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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 2-8°C,Desiccated Ships Wet ice 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
[4, 5-bis(4-methoxyphenyl)-1, 3-thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone hydrochloride | 4-amino-1-[2-deoxy-5-O-(hydroxy{[hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl)-beta-D-erythro-pentofuranosyl]pyrimidin-2(1H)-one | Q27077728 | 1-[[4, 5-bis(4-me
Specifications & Purity
Moligand™, ≥98%(HPLC)
Biochemical and Physiological Mechanisms
Selective cyclooxygenase-1 (COX-1) inhibitor (IC50values are 0.028 and 65μM for COX-1 and COX-2 respectively). Antiplatelet, analgesic and anti-inflammatory following oral administrationin vivo.
Storage
Store at 2-8°C, Desiccated
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Inhibitor of COX-1
Names and Identifiers Canonical Smiles CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.Cl IUPAC Name [4,5-bis(4-methoxyphenyl)-1,3-thiazol-2-yl]-(4-methylpiperazin-1-yl)methanone;hydrochloride InChIKey YWMAVHIKOAOSFM-UHFFFAOYSA-N INCHI 1S/C23H25N3O3S.ClH/c1-25-12-14-26(15-13-25)23(27)22-24-20(16-4-8-18(28-2)9-5-16)21(30-22)17-6-10-19(29-3)11-7-17;/h4-11H,12-15H2,1-3H3;1H Isomeric SMILES CN1CCN(CC1)C(=O)C2=NC(=C(S2)C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC.Cl Molecular Weight 459.99 Reaxy-Rn 6836418 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6836418&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 Azoles Subclass Thiazoles Intermediate Tree Nodes Thiazolecarboxylic acids and derivatives Direct Parent Thiazolecarboxamides Alternative Parents Phenoxy compounds Methoxybenzenes Anisoles 2-heteroaryl carboxamides 2,4,5-trisubstituted thiazoles N-methylpiperazines Alkyl aryl ethers Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents 2-heteroaryl carboxamide - Phenoxy compound - Methoxybenzene - Thiazolecarboxamide - Phenol ether - Anisole - 2,4,5-trisubstituted 1,3-thiazole - N-alkylpiperazine - N-methylpiperazine - Alkyl aryl ether - Benzenoid - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group. 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) Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Solvent:water, Max Conc. mg/mL: 4.6, Max Conc. mM: 10 Molecular Weight 460.000 g/mol XLogP3 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 5 Exact Mass 459.138 Da Monoisotopic Mass 459.138 Da Topological Polar Surface Area 83.100 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 556.000 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 2
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