NSC13316 - ≥97% , CAS No.5428-80-8

Name: NSC13316 - ≥97% , CAS No.5428-80-8
SKU: N696471
Availability: InStock

CAS: 5428-80-8 Cat. No.: N696471 Formule: C₂₁H₂₁ClN₂O Poids moléculaire: 352.9 Numéro CE: 809-297-9 PubChem CID: 224644

COA

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DISPONIBLE À COMMANDE

GRADE & PURITY ≥97%

Storage

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon

Shipped In

Glacière + blocs de glace

Vue d’ensemble Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Calculateurs de solution Avis

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon Ships Glacière + blocs de glace 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

Le Vacquinol-1 (NSC13316) est un activateur spécifique de la MKK4 qui active les voies MAPK. Le Vacquinol-1 induit spécifiquement la mort des cellules humaines de glioblastome (GC), atténue la progression de la tumeur et prolonge la survie dans un modèle de souris de glioblastome multiforme (GBM). Le Vacquinol-1 induit également l'apoptose dans les cellules de carcinome hépatocellulaire (HCC)

Specifications

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Protégé de la lumière,Stocker à -20°C,Chargé à l'argon

Expédié en

Glacière + blocs de glace

Pureté

≥97%

Noms et identifiants

Pubchem Sid	528767679
Sourires canoniques	C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O
IUPAC Name	[2-(4-chlorophenyl)quinolin-4-yl]-piperidin-2-ylmethanol
InChIKey	VKLJPGAHSLIQKH-UHFFFAOYSA-N
INCHI	1S/C21H21ClN2O/c22-15-10-8-14(9-11-15)20-13-17(16-5-1-2-6-18(16)24-20)21(25)19-7-3-4-12-23-19/h1-2,5-6,8-11,13,19,21,23,25H,3-4,7,12H2
Isomères SMILES	C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O
PubChem CID	224644
Poids moléculaire	352.9

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

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Classe Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Classe	Quinolines and derivatives
Subclass	Phenylquinolines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylquinolines
Alternative Parents	Phenylpyridines 4-quinolinemethanols Chlorobenzenes Aralkylamines Piperidines Aryl chlorides Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Phenylquinoline - 2-phenylpyridine - 4-quinolinemethanol - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Piperidine - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Organopnictogen compound - Aromatic alcohol - Amine - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenylquinolines. These are heterocyclic compounds containing a quinoline moiety substituted with a phenyl group.
External Descriptors	Not available
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. DOI: 10.1186/s13321-016-0174-y

Structure 3D

Cibles associées (humaines)

GBA1 Tclin Beta-glucocerebrosidase (14647 Activities)

Discover Target: GBA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

A498 (42825 Activities)

Lot Number	Certificate Type	Date	Article
E2530498	Certificate of Analysis	Nov 11, 2024	N696471
E2530499	Certificate of Analysis	Nov 11, 2024	N696471
E2530500	Certificate of Analysis	Nov 11, 2024	N696471
E2530501	Certificate of Analysis	Nov 11, 2024	N696471
E2530502	Certificate of Analysis	Nov 11, 2024	N696471
E2530503	Certificate of Analysis	Nov 11, 2024	N696471
E2530504	Certificate of Analysis	Nov 11, 2024	N696471
E2530505	Certificate of Analysis	Nov 11, 2024	N696471

Sensibilité	light sensitive
Poids moléculaire	352.900 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	352.134 Da
Monoisotopic Mass	352.134 Da
Topological Polar Surface Area	45.200 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	426.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1