SP-96 - ≥99% , CAS No.2682114-54-9

CAS: 2682114-54-9 Cat. No.: S414446 Formula: C25H20FN7O Peso molecolare: 453.47 PubChem CID: 154573766
Disponibile su ordine
QUALITÀ & PUREZZA ≥99%
Synonyms
1-(3-(7-(2-methyl-2H-imidazol-4-yl)quinazolin-4-ylamino)phenyl)-3-(3-fluorophenyl)urea
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Dimensione
Germania (EU)
USA*
Prezzo
Qtà
1mg
S414446-1mg
Su ordinazione · 8–12 settimane
57,18€
5mg
S414446-5mg
—
2 Disponibile
203,83€
10mg
S414446-10mg
—
3 Disponibile
340,07€
25mg
S414446-25mg
—
2 Disponibile
755,71€
50mg
S414446-50mg
—
2 Disponibile
1.088,06€
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Perché questa qualità

≥99% per flussi di lavoro cromatografici e analitici sensibili che richiedono un'interferenza minima della linea di base.

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Stoccaggio e spedizione

Store at -20°C Spedizione Ice chest + Ice pads. Consultare il COA specifico del lotto per le specifiche esatte.

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Documenti di qualità

SDS, COA, scheda tecnica e scheda delle specifiche disponibili per il download. COA specifico del lotto accessibile tramite ricerca per numero di lotto.

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Prova documentale

Citato in 0 pubblicazioni peer-reviewed su cromatografia, sintesi organica e reazioni di accoppiamento incrociato.

Panoramica

Information

SP-96 is a potent, selective and non-ATP-competitive inhibitor ofAurora Bwith IC50 of 0.316 nM. SP-96 can be used for the research of triple negative breast cancer (TNBC).


Targets

Aurora B (Cell-free assay) 0.316 nM


In vitro

SP-96 shows sub-nanomolar potency in Aurora B enzymatic assays (IC50 = 0.316 ± 0.031 nM). SP-96 shows >2000 fold selectivity against FLT3 and KIT which is important for normal hematopoiesis. Enzyme kinetics of SP-96 shows non-ATP competitive inhibition which makes it a first-in-class inhibitor. SP-96 shows selective growth inhibition in NCI60 screening, including inhibition of MDA-MD-468, a Triple Negative Breast Cancer cell line.


Cell Research(from reference)

Cell lines:MCF-7 cells 

Incubation Time:24 h 

Specifiche

Sinonimi
1-(3-(7-(2-methyl-2H-imidazol-4-yl)quinazolin-4-ylamino)phenyl)-3-(3-fluorophenyl)urea
Specifiche e purezza
≥99%
Meccanismi biochimici e fisiologici
SP-96 is a potent, selective and non-ATP-competitive inhibitor of Aurora B with IC50 of 0.316 nM. SP-96 can be used for the research of triple negative breast cancer (TNBC).
Condizioni di conservazione di stoccaggio
Store at -20°C
Spedito in
Ice chest + Ice pads
Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.
Tipo di azione
INHIBITOR
Purezza
≥99%
Nomi e identificatori
Pubchem Sid
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504773644
Sorrisi canonici
CN1C=C(C=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=CC=C4)NC(=O)NC5=CC(=CC=C5)F
IUPAC Name
1-(3-fluorophenyl)-3-[3-[[7-(1-methylpyrazol-4-yl)quinazolin-4-yl]amino]phenyl]urea
InChIKey
CGDYRZUPKPBLND-UHFFFAOYSA-N
INCHI
1S/C25H20FN7O/c1-33-14-17(13-29-33)16-8-9-22-23(10-16)27-15-28-24(22)30-20-6-3-7-21(12-20)32-25(34)31-19-5-2-4-18(26)11-19/h2-15H,1H3,(H,27,28,30)(H2,31,32,34)
Isomeri SMILES
CN1C=C(C=N1)C2=CC3=C(C=C2)C(=NC=N3)NC4=CC(=CC=C4)NC(=O)NC5=CC(=CC=C5)F
PubChem CID
154573766
Peso molecolare
453.47

Documentazione

📋 Scheda di dati di sicurezza (SDS)

Documento completo su pericoli, manipolazione, stoccaggio e conformità normativa.

<<<<<<< HEAD Scarica SDS → ======= Scarica SDS → >>>>>>> release248-p3

✅ Certificato di analisi (COA)

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📊 Scheda tecnica

Riepilogo di riferimento rapido delle specifiche e applicazioni del prodotto.

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🔬 Scheda delle specifiche

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Dati avanzati

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseDiazanaphthalenes
SubclassBenzodiazines
Intermediate Tree Nodes Quinazolines
Direct ParentQuinazolinamines
Alternative Parents N-phenylureas  Fluorobenzenes  Pyrimidines and pyrimidine derivatives  Imidolactams  Heteroaromatic compounds  Azoles  Organic carbonic acids and derivatives  Secondary amines  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Quinazolinamine - N-phenylurea - Halobenzene - Fluorobenzene - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Carbonic acid derivative - Azacycle - Secondary amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteropolycyclic compound
DescrizioneThis compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.
External Descriptors Not available
Struttura 3D
Modello di struttura chimica interattiva





Obiettivi associati (umani)
AURKA Tchem Aurora kinase A (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
AURKB Tchem Aurora kinase B (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
EGFR Tclin Epidermal growth factor receptor erbB1 (33727 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ERBB2 Tclin Receptor protein-tyrosine kinase erbB-2 (7851 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KIT Tclin Stem cell growth factor receptor (10667 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AURKB Tchem Serine/threonine-protein kinase Aurora-B (6805 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
FLT3 Tclin Tyrosine-protein kinase receptor FLT3 (13481 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
A498 (42825 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CCRF-CEM (65223 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
COLO 205 (50209 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MDA-MB-468 (9477 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Meccanismi d'azione
Certificati (CoA, COO, BSE/TSE e tabella di analisi)
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.

4 results found

Lot NumberCertificate TypeDataOggetto
K22181022K22181022Certificate of AnalysisSep 04, 2025 S414446
K2218914K2218914Certificate of AnalysisSep 04, 2025 S414446
K2218963K2218963Certificate of AnalysisSep 04, 2025 S414446
K2218968K2218968Certificate of AnalysisSep 04, 2025 S414446
Proprietà chimiche e fisiche
SolubilitàSolubility (25°C) In vitro DMSO: 91 mg/mL (200.67 mM); Ethanol: 2 mg/mL (4.41 mM); Water: Insoluble;
Peso molecolare453.500 g/mol
XLogP34.000
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass453.171 Da
Monoisotopic Mass453.171 Da
Topological Polar Surface Area96.800 Ų
Heavy Atom Count34
Formal Charge0
Complexity684.000
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
Calcolatori di soluzioni
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