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· · COA & SDS available for every product · Same-day shipping on in-stock items TAK-960 - ≥97% , Serine/threonine-protein kinase PLK1 inhibitor, CAS No.1137868-52-0, Serine/threonine-protein kinase PLK1 inhibitor
Synonyms
3831VFM1ZB | BDBM50435727 | 1137868-52-0 | Q27452103 | Phenol, 2,6-di-tert-butyl-4-ethyl- (8CI) | 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)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)ben
Shipped In
Ice chest + Ice pads
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
3831VFM1ZB | BDBM50435727 | 1137868-52-0 | Q27452103 | Phenol, 2, 6-di-tert-butyl-4-ethyl- (8CI) | 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)-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)ben
Specifications & Purity
≥97%
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Mechanism of action
Serine/threonine-protein kinase PLK1 inhibitor
Product Properties Names and Identifiers Pubchem Sid 504771164 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504771164 Canonical Smiles CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC IUPAC Name 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-8H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-2-fluoro-5-methoxy-N-(1-methylpiperidin-4-yl)benzamide InChIKey GWRSATNRNFYMDI-UHFFFAOYSA-N INCHI 1S/C27H34F3N7O3/c1-35-10-8-16(9-11-35)32-24(38)18-12-22(40-3)20(13-19(18)28)33-26-31-14-21-23(34-26)37(17-6-4-5-7-17)15-27(29,30)25(39)36(21)2/h12-14,16-17H,4-11,15H2,1-3H3,(H,32,38)(H,31,33,34) Isomeric SMILES CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2F)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC PubChem CID 53357478 Molecular Weight 561.61
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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrimidodiazepines Subclass Not available Intermediate Tree Nodes Not available Direct Parent Pyrimidodiazepines Alternative Parents 2-halobenzoic acids and derivatives Methoxyanilines Benzamides Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Dialkylarylamines 1,4-diazepines Alkyl aryl ethers Aminopyrimidines and derivatives Fluorobenzenes Piperidines Aryl fluorides Imidolactams Vinylogous halides Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Amino acids and derivatives Trialkylamines Azacyclic compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteropolycyclic compounds Substituents Pyrimidodiazepine - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Methoxyaniline - Benzoic acid or derivatives - Benzamide - Phenol ether - Phenoxy compound - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Anisole - Methoxybenzene - Alkyl aryl ether - Halobenzene - Aminopyrimidine - Fluorobenzene - Para-diazepine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Piperidine - Pyrimidine - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous halide - Tertiary amine - Secondary carboxylic acid amide - Lactam - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Alkyl fluoride - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Alkyl halide - Amine - Organic oxide - Organohalogen compound - Organofluoride - 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 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.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility ≥28.05 mg/mL in DMSO; insoluble in H2O; ≥12.3 mg/mL in EtOH Molecular Weight 561.600 g/mol XLogP3 3.600 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 11 Rotatable Bond Count 6 Exact Mass 561.268 Da Monoisotopic Mass 561.268 Da Topological Polar Surface Area 103.000 Ų Heavy Atom Count 40 Formal Charge 0 Complexity 903.000 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
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