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· · COA & SDS available for every product · Same-day shipping on in-stock items P552-02 - Moligand™ , Channel blocker of ENaCαβγ, CAS No.587879-32-1, Channel blocker of ENaCαβγ
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
552-02 Free base|UNII-2WWN8F640E|2WWN8F640E|587879-32-1|CHEMBL212432|2-Pyrazinecarboxamide, 3,5-diamino-6-chloro-N-(((4-(4-(2,3-dihydroxypropoxy)phenyl)butyl)amino)iminomethyl)-|N-(3,5-Diamino-6-chloropyrazine-2-carbonyl)-N'-(4-(4-(2,3-dihydroxypropoxy)ph
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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
552-02 Free base | UNII-2WWN8F640E | 2WWN8F640E | 587879-32-1 | CHEMBL212432 | 2-Pyrazinecarboxamide, 3, 5-diamino-6-chloro-N-(((4-(4-(2, 3-dihydroxypropoxy)phenyl)butyl)amino)iminomethyl)- | N-(3, 5-Diamino-6-chloropyrazine-2-carbonyl)-N'-(4-(4-(2, 3-dihydroxypropoxy)ph
Specifications & Purity
Moligand™
Action Type
CHANNEL BLOCKER
Mechanism of action
Channel blocker of ENaCαβγ
Names and Identifiers Canonical Smiles OCC(COc1ccc(cc1)CCCCN=C(NC(=O)c1nc(Cl)c(nc1N)N)N)O IUPAC Name 3,5-diamino-6-chloro-N-(N'-{4-[4-(2,3-dihydroxypropoxy)phenyl]butyl}carbamimidoyl)pyrazine-2-carboxamide InChIKey NTRKMGDUWYBLMS-UHFFFAOYSA-N INCHI 1S/C19H26ClN7O4/c20-15-17(22)26-16(21)14(25-15)18(30)27-19(23)24-8-2-1-3-11-4-6-13(7-5-11)31-10-12(29)9-28/h4-7,12,28-29H,1-3,8-10H2,(H4,21,22,26)(H3,23,24,27,30) Isomeric SMILES C1=CC(=CC=C1CCCCN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)OCC(CO)O PubChem CID 10310524
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 Phenylbutylamines Intermediate Tree Nodes Not available Direct Parent Phenylbutylamines Alternative Parents Pyrazinecarboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrazines Aryl chlorides Imidolactams Vinylogous amides Heteroaromatic compounds Secondary alcohols 1,2-diols Amino acids and derivatives Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxides Organochlorides Primary amines Primary alcohols Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Phenylbutylamine - Pyrazine carboxylic acid or derivatives - Pyrazinecarboxamide - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrazine - Aryl halide - Imidolactam - Pyrazine - Aryl chloride - Vinylogous amide - Heteroaromatic compound - Guanidine - 1,2-diol - Amino acid or derivatives - Secondary alcohol - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Primary amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine. 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 451.900 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 11 Exact Mass 451.173 Da Monoisotopic Mass 451.173 Da Topological Polar Surface Area 195.000 Ų Heavy Atom Count 31 Formal Charge 0 Complexity 577.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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