Centrinone - 10mM in DMSO , CAS No.1798871-30-3

CAS: 1798871-30-3 Cat. No.: C422192 Fórmula: C26H25F2N7O6S2 Peso molecular: 633.65
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
2-[[2-Fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-4-pyrimidinamine
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
Size
USA
Alemanha (EU)*
Price
Qty
1ml
C422192-1ml
2 Em stock

164,90US$

241,90US$
Gravar 77,00 US$ (31.83%)
Enter a quantity for the sizes you want to add.
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Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
2-[[2-Fluoro-4-[[(2-fluoro-3-nitrophenyl)methyl]sulfonyl]phenyl]thio]-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-(4-morpholinyl)-4-pyrimidinamine
Especificações e pureza
10mM in DMSO
Mecanismos bioquímicos e fisiológicos
High affinity and selective PLK4 inhibitor (Ki= 0.16 nM). Exhibits >1000-fold selectivity for PLK4 over Aurora A and Aurora B. Depletes centriole and centrosome levelsin vitro. Induces cell cycle arrest in normal human cell lines in a p53-dependent manner
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Tipo de ação
INHIBITOR
Nomes e identificadores
Pubchem Sid528763898
Sorrisos canónicosCC1=CC(=NN1)NC2=C(C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)CC4=C(C(=CC=C4)[N+](=O)[O-])F)F)N5CCOCC5)OC
IUPAC Name2-[2-fluoro-4-[(2-fluoro-3-nitrophenyl)methylsulfonyl]phenyl]sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
InChIKeyHHJSKDRCUMVWKF-UHFFFAOYSA-N
INCHI1S/C26H25F2N7O6S2/c1-15-12-21(33-32-15)29-24-23(40-2)25(34-8-10-41-11-9-34)31-26(30-24)42-20-7-6-17(13-18(20)27)43(38,39)14-16-4-3-5-19(22(16)28)35(36)37/h3-7,12-13H,8-11,14H2,1-2H3,(H2,29,30,31,32,33)
SMILES isoméricas CC1=CC(=NN1)NC2=C(C(=NC(=N2)SC3=C(C=C(C=C3)S(=O)(=O)CC4=C(C(=CC=C4)[N+](=O)[O-])F)F)N5CCOCC5)OC
Peso molecular 633.65
Reaxy-Rn 30459758
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=30459758&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClasseThioethers
SubclassAryl thioethers
Intermediate Tree Nodes Not available
Direct ParentDiarylthioethers
Alternative Parents Benzenesulfonyl compounds  Nitrobenzenes  Thiophenol ethers  Dialkylarylamines  Nitroaromatic compounds  Alkyl aryl ethers  Aminopyrimidines and derivatives  Fluorobenzenes  Imidolactams  Aryl fluorides  Morpholines  Pyrazoles  Heteroaromatic compounds  Sulfones  Sulfenyl compounds  Oxacyclic compounds  Propargyl-type 1,3-dipolar organic compounds  Azacyclic compounds  Dialkyl ethers  Organic oxoazanium compounds  Organic zwitterions  Organic salts  Organofluorides  Hydrocarbon derivatives  Organic oxides  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Diarylthioether - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Thiophenol ether - Dialkylarylamine - Alkyl aryl ether - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Morpholine - Oxazinane - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Pyrazole - Sulfone - Sulfonyl - Azole - Organic nitro compound - C-nitro compound - Azacycle - Sulfenyl compound - Organoheterocyclic compound - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Dialkyl ether - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic salt - Organic nitrogen compound - Amine - Organic zwitterion - Aromatic heteromonocyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors Not available
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (humanos)
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKC Tchem Serine/threonine-protein kinase Aurora-C (1780 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK4 Tchem Serine/threonine-protein kinase PLK4 (1882 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BT-474 (2113 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
K562 (73714 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MCF7 (126967 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados(CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDataItem
E2423010Certificate of AnalysisApr 29, 2026 C422192
Propriedades químicas e físicas
Peso molecular633.700 g/mol
XLogP34.300
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count9
Exact Mass633.128 Da
Monoisotopic Mass633.128 Da
Topological Polar Surface Area202.000 Ų
Heavy Atom Count43
Formal Charge0
Complexity1040.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Calculadoras de soluções
Revisões

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