WZ3146 - ≥98% , CAS No.1214265-56-1

CAS: 1214265-56-1 Cat. No.: W127717 Molecular Weight: 464.96 PubChem CID: 44607360

GRADE & PURITY ≥98%

Synonyms

A891789 | n',n'-diisopropyl-ethane-1,2-diamine | AS-55862 | N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | STL377914 | SW219394-1 | D70853 | N-[3-({5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

WZ3146 is a mutant-selective irreversible inhibitor of EGFR(L858R) and EGFR(E746_A750) with IC50 of 2 nM and 2 nM; does not inhibit ERBB2 phosphorylation (T798I).
A mutant EGFR phosphorylation inhibitor

Specifications

Synonyms

A891789 | n', n'-diisopropyl-ethane-1, 2-diamine | AS-55862 | N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide | STL377914 | SW219394-1 | D70853 | N-[3-({5-Chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

WZ3146 significantly suppresses the growth of EGFR mutation containing cell lines with IC50 of 3 nM in EGFR Del E746_A750 containing HCC827 cells, 15 nM in EGFR Del E746_A750 containing PC9 cells, 29 nM in EGFR L858R/T790M containing H1975 cells and 3 nM

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504770391
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770391
• Canonical Smiles: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl
• IUPAC Name: N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
• InChIKey: APHGZZPEOCCYNO-UHFFFAOYSA-N
• INCHI: 1S/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
• Isomeric SMILES: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl
• PubChem CID: 44607360
• Molecular Weight: 464.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Diarylethers Anilides Aniline and substituted anilines Phenoxy compounds Phenol ethers Dialkylarylamines N-arylamides Halopyrimidines Aminopyrimidines and derivatives N-methylpiperazines Aryl chlorides Heteroaromatic compounds Acrylic acids and derivatives Amino acids and derivatives Secondary carboxylic acid amides Trialkylamines Secondary amines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperazine - N-arylpiperazine - Diaryl ether - Anilide - Phenol ether - Phenoxy compound - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - N-alkylpiperazine - N-methylpiperazine - Halopyrimidine - Aminopyrimidine - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Acrylic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Secondary amine - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organooxygen compound - Amine - 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

JAK2 Tclin Tyrosine-protein kinase JAK2 (12915 Activities)

Discover Target: JAK2

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

NCI-H1975 (4994 Activities)

Explore this target

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

PC-9 (1037 Activities)

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

BaF3 (4657 Activities)

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO 93 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 464.900 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 464.173 Da
• Monoisotopic Mass: 464.173 Da
• Topological Polar Surface Area: 82.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 638.000
• 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