AG14361 - Moligand™, ≥98% , Inhibitor of poly(ADP-ribose) polymerase 1, CAS No.328543-09-5, Inhibitor of poly(ADP-ribose) polymerase 1

CAS: 328543-09-5 Cat. No.: A125467 Summenformel: C19H20N4O Molekulargewicht: 320.4
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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)-
Storage
Lagerung bei -20°C
Shipped In
Eistruhe + Eispads
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Size
Deutschland (EU)
USA*
Price
Qty
5mg
A125467-5mg
—
3 Auf Lager

119,66€

153,50€
Speichern 33,84 € (22.05%)
10mg
A125467-10mg
—
3 Auf Lager

198,63€

289,74€
Speichern 91,11 € (31.45%)
50mg
A125467-50mg
—
3 Auf Lager

572,62€

878,93€
Speichern 306,31 € (34.85%)
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Lagerung bei -20°C Ships Eistruhe + Eispads Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

AG14361 ist ein potenter Inhibitor von PARP1 mit einem Ki von <5 nM. Er ist mindestens 1000-mal stärker als die Benzamide.

Specifications

Synonyme
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)-
Spezifikationen & Reinheit
Moligand™, ≥98%
Biochemische und physiologische Mechanismen
Die Behandlung mit AG14361 vor der Bestrahlung erhöht statistisch signifikant die Empfindlichkeit von Mäusen mit LoVo-Xenotransplantaten gegenüber der Strahlentherapie. AG14361 erhöht statistisch signifikant die bl
Storage
Lagerung bei -20°C
Verschickt in
Eistruhe + Eispads
Note
Moligand™
Aktionsart
INHIBITOR
Mechanismus der Wirkung
Inhibitor of poly(ADP-ribose) polymerase 1
Reinheit
≥98%
Namen und Kennungen
Pubchem Sid528763054
Kanonisches LächelnCN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O
IUPAC Name2-[4-[(dimethylamino)methyl]phenyl]-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-9-one
InChIKeySEKJSSBJKFLZIT-UHFFFAOYSA-N
INCHI1S/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)
Isomere SMILES CN(C)CC1=CC=C(C=C1)C2=NC3=CC=CC4=C3N2CCNC4=O
Molekulargewicht 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

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseBenzimidazoles
SubclassPhenylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzimidazoles
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 FrameworkAromatic 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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP1 Tclin Poly [ADP-ribose] polymerase-1 (6206 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
YES1 Tclin Tyrosine-protein kinase YES (2781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LoVo (4724 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
A549 (127892 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SMAD3 Tchem Mothers against decapentaplegic homolog 3 (68039 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GMNN Tbio Geminin (128009 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
H9c2 (3506 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDatumArtikel
L1612070Certificate of AnalysisJan 26, 2026 A125467
A1819016Certificate of AnalysisJun 08, 2023 A125467
A1819015Certificate of AnalysisJun 08, 2023 A125467
Chemische und physikalische Eigenschaften
LöslichkeitDMSO ≥20mg/mL Water <1.2mg/mL Ethanol ≥11mg/mL
Molekulargewicht320.400 g/mol
XLogP31.900
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass320.164 Da
Monoisotopic Mass320.164 Da
Topological Polar Surface Area50.200 Ų
Heavy Atom Count24
Formal Charge0
Complexity460.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Lösungsrechner
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