Azenosertib (Zn-C3) - Moligand™, ≥98% , Inhibitor of WEE1 G2 checkpoint kinase, CAS No.2376146-48-2, Inhibitor of WEE1 G2 checkpoint kinase

CAS: 2376146-48-2 Cat. No.: A607901 Formule: C₂₉H₃₄N₈O₂ Poids moléculaire: 526.63 Numéro CE: 189-014-7 PubChem CID: 139467635

GRADE & PURITY Moligand™, ≥98%

Synonyms

compound 16 [PMID: 34423975] | azenosertib | Azenosertib [INN] | EX-A6113 | 9J13XU96Z1 | (R)-2-allyl-1-(7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

ZN-c3 is a potent and selective Wee1 inhibitor with balanced potency, ADME, and pharmacokinetic properties.

Specifications

Synonymes

compound 16 [PMID: 34423975] | azenosertib | Azenosertib [INN] | EX-A6113 | 9J13XU96Z1 | (R)-2-allyl-1-(7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)-6-((4-(4-methylpiperazin-1-yl)phenyl)amino)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |

Spécifications et pureté

Moligand™, ≥98%

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.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Inhibitor of WEE1 G2 checkpoint kinase

Pureté

≥98%

Propriétés du produit

• ALogP: 3.7

Noms et identifiants

• Pubchem Sid: 528763349
• Sourires canoniques: O=c1n(CC=C)n(c2ccc3CC[C@@](CC)(O)c3n2)c2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc12
• IUPAC Name: 1-[(7R)-7-ethyl-7-hydroxy-5,6-dihydrocyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-3-one
• InChIKey: OXTSYWDBUVRXFF-GDLZYMKVSA-N
• INCHI: 1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1
• Isomères SMILES: CC[C@]1(CCC2=C1N=C(C=C2)N3C4=NC(=NC=C4C(=O)N3CC=C)NC5=CC=C(C=C5)N6CCN(CC6)C)O
• PubChem CID: 139467635
• Poids moléculaire: 526.63

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 Pyrazolylpyridines Pyrazolopyrimidines Polyhalopyridines Dialkylarylamines Aniline and substituted anilines N-methylpiperazines Methylpyridines Hydroxypyridines 2-halopyridines Pyrimidines and pyrimidine derivatives Vinylogous amides Pyrazoles Heteroaromatic compounds Trialkylamines Lactams Secondary amines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - 2-pyrazolylpyridine - Pyrazolopyrimidine - Polyhalopyridine - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2-halopyridine - Methylpyridine - Hydroxypyridine - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Pyrimidine - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Pyrazole - Azole - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Aromatic heteropolycyclic 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)

WEE1 Tchem Wee1-like protein kinase (0 Activities)

Discover Target: WEE1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propriétés chimiques et physiques

• Solubilité: DMSO: 10mg/mL (18.99mM), Need ultrasonic.
• Poids moléculaire: 526.600 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 7
• Exact Mass: 526.28 Da
• Monoisotopic Mass: 526.28 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 875.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Références

1. Zhou Chao, Liu Yuqing, Liu Hongyu, Lu Jun, Zhang Bo, Zhu Liang, Wang Shuyuan, Lei Huimin, Han Baohui.  (2025)  WEE1 inhibitor exerts synergistic effect with KRAS G12C inhibitor via MYBL2-RRM2 axis in KRASG12C-mutant lung cancer.  Cell Death & Disease,  16  (1): (1-18).  [PMID:40885709] [10.1038/s41419-025-07992-4]