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· · COA & SDS available for every product · Same-day shipping on in-stock items PF-04905428 - Moligand™ , P2X purinoceptor 7 antagonist, CAS No.724424-43-5, P2X purinoceptor 7 antagonist
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. Synonyms
DB12113 | AKOS040741528 | Benzamide, 2-chloro-5-(4,5-dihydro-4-((2R)-2-hydroxy-3-methoxypropyl)-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-n-((1-hydroxycycloheptyl)methyl)- | GTPL9062 | CE 224,535 | SCHEMBL3475321 | 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[
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Why this grade Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships 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
DB12113 | AKOS040741528 | Benzamide, 2-chloro-5-(4, 5-dihydro-4-((2R)-2-hydroxy-3-methoxypropyl)-3, 5-dioxo-1, 2, 4-triazin-2(3H)-yl)-n-((1-hydroxycycloheptyl)methyl)- | GTPL9062 | CE 224, 535 | SCHEMBL3475321 | 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[
Specifications & Purity
Moligand™
Mechanism of action
P2X purinoceptor 7 antagonist
Product Properties Names and Identifiers Canonical Smiles COCC(CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)O IUPAC Name 2-chloro-N-[(1-hydroxycycloheptyl)methyl]-5-[4-[(2R)-2-hydroxy-3-methoxypropyl]-3,5-dioxo-1,2,4-triazin-2-yl]benzamide InChIKey FUCKCIVGBCBZNP-MRXNPFEDSA-N INCHI 1S/C22H29ClN4O6/c1-33-13-16(28)12-26-19(29)11-25-27(21(26)31)15-6-7-18(23)17(10-15)20(30)24-14-22(32)8-4-2-3-5-9-22/h6-7,10-11,16,28,32H,2-5,8-9,12-14H2,1H3,(H,24,30)/t16-/m1/s1 Isomeric SMILES COC[C@@H](CN1C(=O)C=NN(C1=O)C2=CC(=C(C=C2)Cl)C(=O)NCC3(CCCCCC3)O)O Alternate CAS 724424-43-5 PubChem CID 11547499 MeSH Entry Terms CE 224,535;CE 224535;CE-224,535;CE-224535;CE224,535;CE224535 Molecular Weight 480.9
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 Benzoic acids and derivatives Intermediate Tree Nodes Halobenzoic acids and derivatives Direct Parent 2-halobenzoic acids and derivatives Alternative Parents Benzamides Benzoyl derivatives Chlorobenzenes 1,2,4-triazines Aryl chlorides Vinylogous halides Tertiary alcohols Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols Lactams Cyclic alcohols and derivatives Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents 2-halobenzoic acid or derivatives - Benzamide - Benzoyl - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Triazine - 1,2,4-triazine - Tertiary alcohol - Heteroaromatic compound - Cyclic alcohol - Vinylogous halide - Lactam - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as 2-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 2-position of the benzene ring. 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 Molecular Weight 480.900 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 7 Rotatable Bond Count 8 Exact Mass 480.178 Da Monoisotopic Mass 480.178 Da Topological Polar Surface Area 132.000 Ų Heavy Atom Count 33 Formal Charge 0 Complexity 742.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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
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