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 分子式: C₂₉H₃₄N₈O₂ 分子量: 526.63 EC番号: 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

概要

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

Specifications

同義語

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 |

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of WEE1 G2 checkpoint kinase

純度

≥98%

製品の性質

• ALogP: 3.7

名前と識別子

• パブケム・シド: 528763349
• カノニカル・スマイル: 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
• 異性体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
• 分子量: 526.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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)

化学的性質と物理的性質

• 溶解度: DMSO: 10mg/mL (18.99mM), Need ultrasonic.
• 分子量: 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

参考文献

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]