A-966492 - 10mM in DMSO , CAS No.934162-61-5

CAS: 934162-61-5 Cat. No.: A580288 Formule: C18H17FN4O Poids moléculaire: 324.36
DISPONIBLE À COMMANDE
GRADE & PURITY 10mM in DMSO
Synonyms
2-{2-Fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl}-1H-benzimidazole-4-carboxamide | HY-10614 | (S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide | CCG-267744 | AC-30303 | SCHEMBL526635 | s2197 | SCHEMBL16540882 | (S)-2-(2-Fluoro-4-(pyrrol
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Allemagne (EU)
USA*
Price
Qty
1ml
A580288-1ml
Sur commande · 8–12 semaines

294,94€

346,14€
Enregistrer 51,20 € (14.79%)
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs 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.

Vue d’ensemble

A-966492 is a novel and potent inhibitor of PARP1 and PARP2 with Ki of 1 nM and 1.5 nM, respectively.

Specifications

Synonymes
2-{2-Fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl}-1H-benzimidazole-4-carboxamide | HY-10614 | (S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benzimidazole-4-carboxamide | CCG-267744 | AC-30303 | SCHEMBL526635 | s2197 | SCHEMBL16540882 | (S)-2-(2-Fluoro-4-(pyrrol
Spécifications et pureté
10mM in DMSO
Mécanismes biochimiques et physiologiques
A-966492 is a novel and effective inhibitor of PARP1 and PARP2
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Noms et identifiants
Sourires canoniquesC1CC(NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F
IUPAC Name2-[2-fluoro-4-[(2S)-pyrrolidin-2-yl]phenyl]-1H-benzimidazole-4-carboxamide
InChIKeyAHIVQGOUBLVTCB-AWEZNQCLSA-N
INCHI1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1
Isomères SMILES C1C[C@H](NC1)C2=CC(=C(C=C2)C3=NC4=C(C=CC=C4N3)C(=O)N)F
Poids moléculaire 324.36
Reaxy-Rn 12881040
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12881040&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
ClasseBenzimidazoles
SubclassPhenylbenzimidazoles
Intermediate Tree Nodes Not available
Direct ParentPhenylbenzimidazoles
Alternative Parents Phenylpyrrolidines  Phenylimidazoles  Fluorobenzenes  Aralkylamines  Aryl fluorides  Pyrroles  Heteroaromatic compounds  Primary carboxylic acid amides  Amino acids and derivatives  Dialkylamines  Azacyclic compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Phenylbenzimidazole - 2-phenylimidazole - 2-phenylpyrrolidine - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Pyrrole - Pyrrolidine - Amino acid or derivatives - Primary carboxylic acid amide - Carboxamide group - Azacycle - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (humaines)
PARP1 Tclin Poly [ADP-ribose] polymerase 1 (2 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1 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
MX1 (889 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PARP2 Tclin Poly [ADP-ribose] polymerase 2 (1185 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cibles associées (non humaines)
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Rattus norvegicus (775804 Activities)
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B16-F10 (4610 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cynomolgus monkey (4946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Brain (1 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propriétés chimiques et physiques
SolubilitéDMSO 65 mg/mL Water <1 mg/mL Ethanol <1 mg/mL;≥32.4 mg/mL in DMSO; ≥16.53 mg/mL in H2O with ultrasonic; ≥3.16 mg/mL in EtOH with gentle warming and ultrasonic
Poids moléculaire324.400 g/mol
XLogP32.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass324.139 Da
Monoisotopic Mass324.139 Da
Topological Polar Surface Area83.800 Ų
Heavy Atom Count24
Formal Charge0
Complexity476.000
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculateurs de solution
Avis

Avis des clients

Foire aux questions

How should this product be stored?
Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.
How is this product shipped?
This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.
What are the CAS number, molecular formula and molecular weight?
The CAS Number is 934162-61-5, the molecular formula is C18H17FN4O, and the molecular weight is 324.36 g/mol. InChIKey AHIVQGOUBLVTCB-AWEZNQCLSA-N.
What documentation is provided?
Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.

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