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

COA COA
In stock
Item Number
R127227
Grouped product items
SKU Size
Availability
 Price Qty
R127227-5mg
5mg
3
$121.90
R127227-10mg
10mg
3
$194.90
R127227-25mg
25mg
2
$389.90
R127227-50mg
50mg
1
$613.90
R127227-100mg
100mg
1
$999.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Potent and selective PLK1 inhibitor

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) FER tyrosine kinase Inhibitor (4) polo like kinase 1 Inhibitor (14) Polo-like Kinase (PLK) (34) TTK protein kinase Inhibitor (11)

Basic Description

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
Specifications & Purity Moligand™, ≥99%
Biochemical and Physiological Mechanisms 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
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade Moligand™
Action Type INHIBITOR
Mechanism of action Inhibitor of FER tyrosine kinase;Inhibitor of polo like kinase 1;Inhibitor of TTK protein kinase

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Pyrimidodiazepines
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Pyrimidodiazepines
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 Framework Aromatic 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
Description This 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

Associated Targets(Human)

FER Tclin Tyrosine-protein kinase Fer (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
TTK Tchem Dual specificity protein kinase TTK (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
PLK1 Tchem Serine/threonine-protein kinase PLK1 (3 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
ABL1 Tclin Tyrosine-protein kinase ABL (18331 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
GSK3B Tclin Glycogen synthase kinase-3 beta (11785 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CSNK1D Tchem Casein kinase I delta (4546 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PLK1 Tchem Serine/threonine-protein kinase PLK1 (28605 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
AURKA Tchem Serine/threonine-protein kinase Aurora-A (10240 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
U2OS (164939 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HepG2 (196354 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRD4 Tchem Bromodomain-containing protein 4 (13122 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRDT Tchem Bromodomain testis-specific protein (576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TRIM24 Tchem Transcription intermediary factor 1-alpha (2087 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BRPF1 Tchem Peregrin (2217 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HEK-293T (167025 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MM1.S (1111 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Fgfr3 Fibroblast growth factor receptor 3 (21 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 4-[(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
INCHI InChI=1S/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)
InChIKey DJNZZLZKAXGMMC-UHFFFAOYSA-N
Smiles CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
Isomeric 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
Molecular Weight 543.61

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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.

10 results found

Lot Number Certificate Type Date Item
E2431401 Certificate of Analysis Feb 26, 2024 R127227
E2431415 Certificate of Analysis Feb 26, 2024 R127227
E2431416 Certificate of Analysis Feb 26, 2024 R127227
E2431417 Certificate of Analysis Feb 26, 2024 R127227
E2431418 Certificate of Analysis Feb 26, 2024 R127227
E2431419 Certificate of Analysis Feb 26, 2024 R127227
E2431420 Certificate of Analysis Feb 26, 2024 R127227
E2431421 Certificate of Analysis Feb 26, 2024 R127227
E2431422 Certificate of Analysis Feb 26, 2024 R127227
E2431423 Certificate of Analysis Feb 26, 2024 R127227

Chemical and Physical Properties

Solubility Solvent:DMSO, Max Conc. mg/mL: 27.18, Max Conc. mM: 50; Solvent:ethanol, Max Conc. mg/mL: 27.18, Max Conc. mM: 50
Molecular Weight 543.600 g/mol
XLogP3 3.500
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 10
Rotatable Bond Count 6
Exact Mass 543.277 Da
Monoisotopic Mass 543.277 Da
Topological Polar Surface Area 103.000 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 868.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
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

Alternative Products

  1. Ro3280, Inhibitor of FER tyrosine kinase;Inhibitor of polo like kinase 1;Inhibitor of TTK protein kinase
    Ro3280, Inhibitor of FER tyrosine kinase;Inhibitor of polo like kinase 1;Inhibitor of TTK protein kinase

    Starting at $183.90

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