Home Amines 755038-02-9
755038-02-9,MFCD10565924
Catalog No.:AA00G2II

755038-02-9 | 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

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1mg
≥95%
in stock  
$53.00   $37.00
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5mg
98%
in stock  
$132.00   $93.00
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10mg
≥95%
in stock  
$255.00   $178.00
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25mg
98%
in stock  
$259.00   $182.00
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100mg
≥98%
in stock  
$932.00   $653.00
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250mg
≥98%
in stock  
$2,027.00   $1,419.00
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1g
≥98%
in stock  
$7,147.00   $5,003.00
- +
  • Technical Information
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  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00G2II
Chemical Name:
4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CAS Number:
755038-02-9
Molecular Formula:
C28H39N7O3
Molecular Weight:
521.6544
MDL Number:
MFCD10565924
SMILES:
CC[C@H]1N(C2CCCC2)c2nc(ncc2N(C1=O)C)Nc1ccc(cc1OC)C(=O)NC1CCN(CC1)C
Properties
Computed Properties
 
Complexity:
816  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
3.7  

Literature

Title: Eribulin synergizes with Polo-like kinase 1 inhibitors to induce apoptosis in rhabdomyosarcoma.

Journal: Cancer letters 20150828

Title: Centmitor-1, a novel acridinyl-acetohydrazide, possesses similar molecular interaction field and antimitotic cellular phenotype as rigosertib, on 01910.Na.

Journal: Molecular cancer therapeutics 20140501

Title: Dual kinase-bromodomain inhibitors for rationally designed polypharmacology.

Journal: Nature chemical biology 20140401

Title: BRD4 associates with p53 in DNMT3A-mutated leukemia cells and is implicated in apoptosis by the bromodomain inhibitor JQ1.

Journal: Cancer medicine 20131201

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters 20130801

Title: Hit to Lead optimization of a novel class of squarate-containing polo-like kinases inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20121215

Title: Enabling and disabling polo-like kinase 1 inhibition through chemical genetics.

Journal: ACS chemical biology 20120615

Title: Using transcriptome sequencing to identify mechanisms of drug action and resistance.

Journal: Nature chemical biology 20120301

Title: Small interfering RNA library screen identified polo-like kinase-1 (PLK1) as a potential therapeutic target for breast cancer that uniquely eliminates tumor-initiating cells.

Journal: Breast cancer research : BCR 20120101

Title: Polo-like kinase 1 (PLK1) inhibition suppresses cell growth and enhances radiation sensitivity in medulloblastoma cells.

Journal: BMC cancer 20120101

Title: Comprehensive analysis of kinase inhibitor selectivity.

Journal: Nature biotechnology 20111030

Title: Formation of stable attachments between kinetochores and microtubules depends on the B56-PP2A phosphatase.

Journal: Nature cell biology 20111001

Title: Polo-like kinase 1 inhibition as a new therapeutic modality in therapy of cholangiocarcinoma.

Journal: Anticancer research 20111001

Title: Phosphorylation of Ataxin-10 by polo-like kinase 1 is required for cytokinesis.

Journal: Cell cycle (Georgetown, Tex.) 20110901

Title: Polo-like kinase-1 as a novel target in neoplastic mast cells: demonstration of growth-inhibitory effects of small interfering RNA and the Polo-like kinase-1 targeting drug BI 2536.

Journal: Haematologica 20110501

Title: Small molecule kinase inhibitor screen identifies polo-like kinase 1 as a target for neuroblastoma tumor-initiating cells.

Journal: Cancer research 20110215

Title: Microenvironmental influence on pre-clinical activity of polo-like kinase inhibition in multiple myeloma: implications for clinical translation.

Journal: PloS one 20110101

Title: Activation state-dependent binding of small molecule kinase inhibitors: structural insights from biochemistry.

Journal: Chemistry & biology 20101124

Title: Prediction of neutropenia-related effects of a new combination therapy with the anticancer drugs BI 2536 (a Plk1 inhibitor) and pemetrexed.

Journal: Clinical pharmacology and therapeutics 20101101

Title: Polo-like kinase 1 (Plk1) as a novel drug target in chronic myeloid leukemia: overriding imatinib resistance with the Plk1 inhibitor BI 2536.

Journal: Cancer research 20100215

Title: Treatment of biliary tract cancer with NVP-AEW541: mechanisms of action and resistance.

Journal: World journal of gastroenterology 20100114

Title: The Plk1 inhibitor BI 2536 temporarily arrests primary cardiac fibroblasts in mitosis and generates aneuploidy in vitro.

Journal: PloS one 20100101

Title: PLK1 down-regulates parainfluenza virus 5 gene expression.

Journal: PLoS pathogens 20090701

Title: Polo-like kinase (PLK) inhibitors in preclinical and early clinical development in oncology.

Journal: The oncologist 20090601

Title: Identification of Polo-like kinase 1 as a potential therapeutic target in anaplastic thyroid carcinoma.

Journal: Cancer research 20090301

Title: Selectivity-determining residues in Plk1.

Journal: Chemical biology & drug design 20071201

Title: Pharmacological and functional comparison of the polo-like kinase family: insight into inhibitor and substrate specificity.

Journal: Biochemistry 20070821

Title: BI 2536, a potent and selective inhibitor of polo-like kinase 1, inhibits tumor growth in vivo.

Journal: Current biology : CB 20070220

Title: Lénárt P, et al. The Small-Molecule Inhibitor BI 2536 Reveals Novel Insights into Mitotic Roles of Polo-like Kinase 1. Curr Biol. 2007 Feb 20;17(4):304-15.

Title: Chen L, et al. BRD4 Structure-Activity Relationships of Dual PLK1 Kinase/BRD4 Bromodomain Inhibitor BI-2536. ACS Med Chem Lett. 2015 May 18;6(7):764-9.

Title: Steegmaier M, et al. BI 2536, a Potent and Selective Inhibitor of Polo-like Kinase 1, Inhibits Tumor Growth In Vivo. Current Biology (2007), 17(4), 316-322.

Title: Malik N, et al. Suppression of IFN β gene transcription by inhibitors of bromodomain and extra-terminal (BET) family members. Biochem J. 2015 Jun 15;468(3):363-72.

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Tags:755038-02-9 Molecular Formula|755038-02-9 MDL|755038-02-9 SMILES|755038-02-9 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide