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B2 - ≥98%(HPLC), high purity , CAS No.115687-05-3

2 Citations COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
B288906
Grouped product items
SKU Size
Availability
 Price Qty
B288906-10mg
10mg
5
$619.90
B288906-50mg
50mg
5
$2,790.90
B288906-100mg
100mg
4
$5,022.90
B288906-250mg
250mg
3
$11,299.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Promotes inclusion formation in Huntington's and Parkinson's diseases

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Epigenetics (1496) Histone Modification (1379) Sirtuin (94)

Basic Description

Synonyms NCGC00186018-01 | E77878 | Tox21_500619 | CPNQ, >=98% (HPLC), solid | CPNQ | BS-52744 | AKOS000424462 | SDCCGSBI-0046858.P002 | CHEBI:125473 | B2 | Oprea1_532455 | Q27216092 | (4-chlorophenyl)(4-(8-nitroquinolin-5-yl)piperazin-1-yl)methanone | CBMicro_046
Specifications & Purity ≥98%(HPLC)
Biochemical and Physiological Mechanisms Misfolded proteins accumulate in many neurodegenerative diseases, including huntingtin in Huntington′s disease and alpha-synuclein in Parkinson′s disease. The disease-causing proteins can take various conformations and are prone to aggregate and form larg
Storage Temp Protected from light,Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Diazinanes
Subclass Piperazines
Intermediate Tree Nodes Not available
Direct Parent N-arylpiperazines
Alternative Parents Aminoquinolines and derivatives  4-halobenzoic acids and derivatives  Benzamides  Nitroaromatic compounds  Dialkylarylamines  Benzoyl derivatives  Chlorobenzenes  Pyridines and derivatives  Aryl chlorides  Tertiary carboxylic acid amides  Heteroaromatic compounds  Amino acids and derivatives  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organochlorides  Organooxygen compounds  Organopnictogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents N-arylpiperazine - Aminoquinoline - Quinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzamide - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Chlorobenzene - Halobenzene - Pyridine - Benzenoid - Aryl halide - Aryl chloride - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Heteroaromatic compound - Amino acid or derivatives - Organic nitro compound - Carboxamide group - C-nitro compound - Tertiary amine - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic nitrogen compound - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as n-arylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an aryl group.
External Descriptors Not available

Associated Targets(Human)

ARSA Tbio Cerebroside-sulfatase (655 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FEN1 Tchem Flap endonuclease 1 (12055 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SIRT3 Tchem NAD-dependent deacetylase sirtuin 3 (1285 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SIRT2 Tchem NAD-dependent deacetylase sirtuin 2 (3979 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SIRT1 Tchem NAD-dependent deacetylase sirtuin 1 (3505 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ATAD5 Tbio ATPase family AAA domain-containing protein 5 (122566 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Saccharomyces cerevisiae (19171 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
pfk 6-phospho-1-fructokinase (7870 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Midbrain (181 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 488194644
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488194644
IUPAC Name (4-chlorophenyl)-[4-(8-nitroquinolin-5-yl)piperazin-1-yl]methanone
INCHI InChI=1S/C20H17ClN4O3/c21-15-5-3-14(4-6-15)20(26)24-12-10-23(11-13-24)17-7-8-18(25(27)28)19-16(17)2-1-9-22-19/h1-9H,10-13H2
InChIKey KLNPVNZJCWIQSK-UHFFFAOYSA-N
Smiles C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
Isomeric SMILES C1CN(CCN1C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-])C(=O)C4=CC=C(C=C4)Cl
Molecular Weight 396.83
Reaxy-Rn 13062388
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13062388&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

9 results found

Lot Number Certificate Type Date Item
C2323460 Certificate of Analysis Feb 27, 2023 B288906
C2323463 Certificate of Analysis Feb 27, 2023 B288906
C2323576 Certificate of Analysis Feb 27, 2023 B288906
C2323617 Certificate of Analysis Feb 27, 2023 B288906
C2323593 Certificate of Analysis Feb 27, 2023 B288906
C2323481 Certificate of Analysis Feb 27, 2023 B288906
C2323622 Certificate of Analysis Feb 27, 2023 B288906
C2323419 Certificate of Analysis Feb 27, 2023 B288906
C2520342 Certificate of Analysis Feb 27, 2023 B288906

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 39.68, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 3.97, Max Conc. mM: 10
Sensitivity light & Moisture & air sensitive
Molecular Weight 396.800 g/mol
XLogP3 3.700
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 2
Exact Mass 396.099 Da
Monoisotopic Mass 396.099 Da
Topological Polar Surface Area 82.300 Ų
Heavy Atom Count 28
Formal Charge 0
Complexity 570.000
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

Citations of This Product

How to Cite Aladdin Scientific Products?
1. Naymul Karim, Mohammad Rezaul Islam Shishir, Tao Bao, Wei Chen.  (2021)  Effect of cold plasma pretreated hot-air drying on the physicochemical characteristics, nutritional values and antioxidant activity of shiitake mushroom.  JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE,  101  (15): (6271-6280). 
2. Xi-Tian Peng, Tao Liu, Shu-Xian Ji, Yu-Qi Feng.  (2013)  Preparation of a novel carboxyl stationary phase by “thiol-ene” click chemistry for hydrophilic interaction chromatography.  JOURNAL OF SEPARATION SCIENCE,  36  (16): (2571-2577). 

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