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WZ 4003 - 10mM in DMSO, high purity , CAS No.1214265-58-3, Inhibitor of NUAK family kinase 1;Inhibitor of NUAK family; SNF1-like kinase; 2
Potent, selective NUAK kinase inhibitor
Basic Description
Synonyms
BCP09218 | CCG-264737 | WZ 4003 | C25H29ClN6O3 | WZ4003, >=98% (HPLC) | NCGC00386309-05 | s7317 | 1214265-58-3 | CS-3258 | N-(3-(5-chloro-2-(2-methoxy-4-(4-methylpiperazin-1-yl)phenylamino)pyrimidin-4-yloxy)phenyl)propionamide | Z335245084 | F20676 | NCGC
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
Potent, selective NUAK kinase inhibitor (IC 50 values are 20 and 100 nM for NUAK1 and NUAK2, respectively). Impairs invasive potential of U2OS cells. Shows antiproliferative effects.
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of NUAK family kinase 1;Inhibitor of NUAK family; SNF1-like kinase; 2
Product Description
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazinanes
Subclass
Piperazines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpiperazines
Alternative Parents
N-arylpiperazines Diarylethers Aminophenyl ethers Anilides Methoxyanilines Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Dialkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives N-methylpiperazines Halopyrimidines Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-arylpiperazine - Phenylpiperazine - Diaryl ether - Anilide - Methoxyaniline - Aminophenyl ether - Methoxybenzene - N-arylamide - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenoxy compound - Phenol ether - Anisole - N-methylpiperazine - Halopyrimidine - Alkyl aryl ether - N-alkylpiperazine - Aminopyrimidine - Aryl chloride - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyrimidine - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
External Descriptors
Not available
Data sources
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
N-[3-[5-chloro-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]propanamide
INCHI
InChI=1S/C25H29ClN6O3/c1-4-23(33)28-17-6-5-7-19(14-17)35-24-20(26)16-27-25(30-24)29-21-9-8-18(15-22(21)34-3)32-12-10-31(2)11-13-32/h5-9,14-16H,4,10-13H2,1-3H3,(H,28,33)(H,27,29,30)
InChIKey
SDGJBAUIGHSMRI-UHFFFAOYSA-N
Smiles
CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC
Isomeric SMILES
CCC(=O)NC1=CC(=CC=C1)OC2=NC(=NC=C2Cl)NC3=C(C=C(C=C3)N4CCN(CC4)C)OC
PubChem CID
72200024
Molecular Weight
497
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
497.000 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
8
Exact Mass
496.199 Da
Monoisotopic Mass
496.199 Da
Topological Polar Surface Area
91.900 Ų
Heavy Atom Count
35
Formal Charge
0
Complexity
667.000
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
1.
Ruobing Wang, Dan Su, Yueze Liu, Hua Huang, Jiangdong Qiu, Zhe Cao, Gang Yang, Hao Chen, Wenhao Luo, Jinxin Tao, Guihu Weng, Taiping Zhang.
(2024)
The NF-κB/NUAK2 signaling axis regulates pancreatic cancer progression by targeting SMAD2/3.
iScience,
27
(109406).
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