Ro3280 - Moligand™, ≥99% , Inhibitor of FER tyrosine kinase;Inhibitor of polo like kinase 1;Inhibitor of TTK protein kinase, CAS No.1062243-51-9, Inhibitor of FER tyrosine kinase;Inhibitor of polo like kinase 1;Inhibitor of TTK protein kinase

CAS: 1062243-51-9 Cat. No.: R127227 Peso molecular: 543.61 PubChem CID: 25015677
Disponible para pedir
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%
Synonyms
BCP05205 | HMS3653O21 | PharmaGSID_48511 | 1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxylic acid | 4-((9-Cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzam
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
5mg
R127227-5mg
2
259,90US$
10mg
R127227-10mg
3
419,90US$
25mg
R127227-25mg
2
699,90US$
50mg
R127227-50mg
1
1.119,90US$
100mg
R127227-100mg
1
1.799,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥99% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -20°C Ships Ice chest + Ice pads 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
BCP05205 | HMS3653O21 | PharmaGSID_48511 | 1-ethyl-7-methyl-4-oxo-1, 8-naphthyridine-3-carboxylic acid | 4-((9-Cyclopentyl-7, 7-difluoro-5-methyl-6-oxo-6, 7, 8, 9-tetrahydro-5H-pyrimido[4, 5-b][1, 4]diazepin-2-yl)amino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzam
Especificaciones y pureza
Moligand™, ≥99%
Mecanismos bioquímicos y fisiológicos
Potent and selective PLK inhibitor (IC50= 3 nM). Exhibits selectivity for PLK1 over a panel of other kinases. Inhibits growth of a range of tumor cells linesin vitroand induces apoptosis in leukemia cells. Exhibits antitumor activity in mouse colorectal
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 FER tyrosine kinase;Inhibitor of polo like kinase 1;Inhibitor of TTK protein kinase
Pureza
≥99%
Nombres e identificadores
Sonrisas canónicasCN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
IUPAC Name4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
InChIKeyDJNZZLZKAXGMMC-UHFFFAOYSA-N
INCHI1S/C27H35F2N7O3/c1-34-12-10-18(11-13-34)31-24(37)17-8-9-20(22(14-17)39-3)32-26-30-15-21-23(33-26)36(19-6-4-5-7-19)16-27(28,29)25(38)35(21)2/h8-9,14-15,18-19H,4-7,10-13,16H2,1-3H3,(H,31,37)(H,30,32,33)
Isómeros SMILES CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
PubChem CID 25015677
Peso molecular 543.61

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
SuperclassOrganoheterocyclic compounds
ClasePyrimidodiazepines
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentPyrimidodiazepines
Alternative Parents Benzamides  Methoxyanilines  Benzoyl derivatives  Dialkylarylamines  Anisoles  Phenoxy compounds  Methoxybenzenes  1,4-diazepines  Alkyl aryl ethers  Aminopyrimidines and derivatives  Piperidines  Imidolactams  Heteroaromatic compounds  Tertiary carboxylic acid amides  Lactams  Trialkylamines  Secondary carboxylic acid amides  Amino acids and derivatives  Secondary amines  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organofluorides  Alkyl fluorides  Organopnictogen compounds  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Pyrimidodiazepine - Benzamide - Benzoic acid or derivatives - Methoxyaniline - Anisole - Phenoxy compound - Benzoyl - Phenol ether - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Para-diazepine - Aminopyrimidine - Monocyclic benzene moiety - Imidolactam - Benzenoid - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary carboxylic acid amide - Lactam - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Ether - Carboxylic acid derivative - Secondary amine - Organic oxide - Carbonyl group - Alkyl fluoride - Organohalogen compound - Organofluoride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
DescripciónThis compound belongs to the class of organic compounds known as pyrimidodiazepines. These are compounds containing a pyrimidoazepine moiety, which consists of a pyrimidine fused to a piperazine ring by a bond. Pyrimidine is 6-membered ring consisting of five carbon atoms and two nitrogen atoms at ring positions 1 and 3. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.
External Descriptors Not available
Estructura 3D
Modelo de Estructura Química Interactiva





Objetivos asociados (humanos)
FER Tclin Tyrosine-protein kinase Fer (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
TTK Tchem Dual specificity protein kinase TTK (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 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
HT-29 (80576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U2OS (164939 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEK-293T (167025 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
MM1.S (1111 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Objetivos asociados (no humanos)
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

13 results found

Lot NumberCertificate TypeFechaArticulo
E2431401Certificate of AnalysisMar 16, 2026 R127227
E2431415Certificate of AnalysisMar 16, 2026 R127227
E2431416Certificate of AnalysisMar 16, 2026 R127227
E2431417Certificate of AnalysisMar 16, 2026 R127227
E2431418Certificate of AnalysisMar 16, 2026 R127227
E2431419Certificate of AnalysisMar 16, 2026 R127227
E2431420Certificate of AnalysisMar 16, 2026 R127227
E2431421Certificate of AnalysisMar 16, 2026 R127227
E2431422Certificate of AnalysisMar 16, 2026 R127227
E2431423Certificate of AnalysisMar 16, 2026 R127227
G2510598Certificate of AnalysisApr 16, 2024 R127227
G2510599Certificate of AnalysisApr 16, 2024 R127227
G2510600Certificate of AnalysisApr 16, 2024 R127227

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Propiedades químicas y físicas
SolubilidadSolvent:DMSO, Max Conc. mg/mL: 27.18, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 27.18, Max Conc. mM: 50
Peso molecular543.600 g/mol
XLogP33.500
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass543.277 Da
Monoisotopic Mass543.277 Da
Topological Polar Surface Area103.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity868.000
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 soluciones
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