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· · COA & SDS available for every product · Same-day shipping on in-stock items AG14361 - Moligand™, ≥98% , Inhibitor of poly(ADP-ribose) polymerase 1, CAS No.328543-09-5, Inhibitor of poly(ADP-ribose) polymerase 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% Synonyms
SCHEMBL476278 | DTXSID80186513 | AB03409 | HMS2210M16 | AKOS016347360 | J-507662 | 1-(4-((dimethylamino)methyl)phenyl)-8,9-dihydro-2,7,9a-triazabenzo[cd]azulen-6(7H)-one | 1-(4-((dimethylamino)methyl)phenyl)-8,9-dihydro-2,7,9a-triazabenzo[cd]azulen-6(7H)-
Shipped In
Ice chest + Ice pads
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Why this grade Moligand™, ≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Overview AG14361 is a potent inhibitor of PARP1 with Ki of <5 nM. It is at least 1000-fold more potent than the benzamides.
Specifications Synonyms
SCHEMBL476278 | DTXSID80186513 | AB03409 | HMS2210M16 | AKOS016347360 | J-507662 | 1-(4-((dimethylamino)methyl)phenyl)-8, 9-dihydro-2, 7, 9a-triazabenzo[cd]azulen-6(7H)-one | 1-(4-((dimethylamino)methyl)phenyl)-8, 9-dihydro-2, 7, 9a-triazabenzo[cd]azulen-6(7H)-
Specifications & Purity
Moligand™, ≥98%
Biochemical and Physiological Mechanisms
AG14361 is at least 1000-fold more potent than the benzamides.AG14361 treatment before irradiation statistically significantly increases the sensitivity to radiation therapy of mice bearing LoVo xenografts. AG14361 statistically significantly increases bl
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 poly(ADP-ribose) polymerase 1
Names and Identifiers Canonical Smiles CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O IUPAC Name 2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one InChIKey SEKJSSBJKFLZIT-UHFFFAOYSA-N INCHI 1S/C19H20N4O/c1-22(2)12-13-6-8-14(9-7-13)18-21-16-5-3-4-15-17(16)23(18)11-10-20-19(15)24/h3-9H,10-12H2,1-2H3,(H,20,24) Isomeric SMILES CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O Molecular Weight 320.4 Reaxy-Rn 9283091 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9283091&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 Phenylbenzimidazoles Intermediate Tree Nodes Not available Direct Parent Phenylbenzimidazoles Alternative Parents 1,4-benzodiazepines Phenylimidazoles Phenylmethylamines Benzylamines 1,4-diazepines Aralkylamines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Phenylbenzimidazole - Benzodiazepine - 2-phenylimidazole - 1,4-benzodiazepine - Benzylamine - Phenylmethylamine - Para-diazepine - Aralkylamine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Amine - Organopnictogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phenylbenzimidazoles. These are compounds containing a phenylbenzimidazole skeleton, which consists of a benzimidazole moiety where its imidazole ring is attached to a phenyl 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) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility DMSO ≥20mg/mL Water <1.2mg/mL Ethanol ≥11mg/mL Molecular Weight 320.400 g/mol XLogP3 1.900 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 3 Exact Mass 320.164 Da Monoisotopic Mass 320.164 Da Topological Polar Surface Area 50.200 Ų Heavy Atom Count 24 Formal Charge 0 Complexity 460.000 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
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