NSC13316 - ≥97% , CAS No.5428-80-8

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

CAS: 5428-80-8 Cat. No.: N696471 Molecular Weight: 352.9 EC Number: 809-297-9 PubChem CID: 224644

COA

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

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

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Storage & shipping

Protected from light,Store at -20°C,Argon charged 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

Vacquinol-1 (NSC13316) is a MKK4-specific activator that activates MAPK pathways . Vacquinol-1 specifically induces human glioblastoma cell (GC) death, attenuates tumor progression and prolongs survival in a glioblastoma multiforme (GBM) mouse model . Vacquinol-1 also induces apoptosis in hepatocellular carcinoma (HCC)cell .

Specifications

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Canonical Smiles	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
Isomeric SMILES	C1CCNC(C1)C(C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)Cl)O
PubChem CID	224644
Molecular Weight	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
  - Class Quinolines and derivatives
    - Subclass Phenylquinolines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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

3D Structure

Associated Targets(Human)

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	Item
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

Sensitivity	light sensitive
Molecular Weight	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