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 Fórmula: C₂₉H₃₄N₈O₂ Peso molecular: 526.63 Número EC: 189-014-7 PubChem CID: 139467635

CALIDAD & PUREZA 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

Descripción general

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

Especificaciones

Sinónimos

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 |

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of WEE1 G2 checkpoint kinase

Pureza

≥98%

Propiedades del producto

ALogP

3.7

Nombres e identificadores

Pubchem Sid

528763349

Sonrisas canónicas

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

Isómeros 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

Peso molecular

526.63

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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)

Propiedades químicas y físicas

• Solubilidad: DMSO: 10mg/mL (18.99mM), Need ultrasonic.
• Peso molecular: 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