WZ3146 - ≥98% , CAS No.1214265-56-1

CAS: 1214265-56-1 Cat. No.: W127717 Formule: C₂₄H₂₅ClN₆O₂ Poids moléculaire: 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

Vue d’ensemble

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

Synonymes

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

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504770391

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770391

Sourires canoniques

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)

Isomères 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

Poids moléculaire

464.96

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Cibles associées (humaines)

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)

Explore this target

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

Cibles associées (non humaines)

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)

Explore this target

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO 93 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Poids moléculaire: 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