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161058-83-9,MFCD05664734
Catalog No.:AA001VIT

161058-83-9 | Nu2058

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1mg
98%
in stock  
$12.00   $8.00
- +
5mg
98%
in stock  
$21.00   $15.00
- +
10mg
98%
in stock  
$35.00   $25.00
- +
25mg
98%
in stock  
$47.00   $33.00
- +
50mg
98%
in stock  
$65.00   $46.00
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100mg
98%
in stock  
$90.00   $63.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001VIT
Chemical Name:
Nu2058
CAS Number:
161058-83-9
Molecular Formula:
C12H17N5O
Molecular Weight:
247.2963
MDL Number:
MFCD05664734
SMILES:
Nc1nc(OCC2CCCCC2)c2c(n1)[nH]cn2
NSC Number:
707619
Properties
Computed Properties
 
Complexity:
271  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
2.1  

Downstream Synthesis Route
1-(2-amino-9H-purin-6-yl)-4-aza-1-azoniabicyclo2.2.2octanechloride 
  100-49-2    161058-83-9 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1997,p.185-186

[2]JournalofMedicinalChemistry,2000,vol.43,p.2797-2804

[1]JournalofMedicinalChemistry,2000,vol.43,p.4071-4083

[2]BioorganicandMedicinalChemistry,2013,vol.21,p.1685-1695

[3]MedicinalChemistry,2017,vol.13,p.28-39

[1]Journalofmedicinalchemistry,2004,vol.47,p.3710-3722

161058-83-9   
NU6094 

[1]Journalofmedicinalchemistry,2004,vol.47,p.3710-3722

161058-83-9   
NU6086 

[1]Journalofmedicinalchemistry,2004,vol.47,p.3710-3722

Literature

Title: 6-Oxo and 6-thio purine analogs as antimycobacterial agents.

Journal: Bioorganic & medicinal chemistry 20130401

Title: The kinase inhibitor O6-cyclohexylmethylguanine (NU2058) potentiates the cytotoxicity of cisplatin by mechanisms that are independent of its effect upon CDK2.

Journal: Biochemical pharmacology 20090515

Title: Identifying tumor cell growth inhibitors by combinatorial chemistry and zebrafish assays.

Journal: PloS one 20090101

Title: Regiospecific microwave-assisted synthesis and cytotoxic activity against human breast cancer cells of (RS)-6-substituted-7- or 9-(2,3-dihydro-5H-1,4-benzodioxepin-3-yl)-7H- or -9H-purines.

Journal: European journal of medicinal chemistry 20080801

Title: EmbR2, a structural homologue of EmbR, inhibits the Mycobacterium tuberculosis kinase/substrate pair PknH/EmbR.

Journal: The Biochemical journal 20080301

Title: Therapeutic potential of CDK inhibitor NU2058 in androgen-independent prostate cancer.

Journal: Oncogene 20071206

Title: Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations.

Journal: Journal of medicinal chemistry 20060824

Title: Searching for cyclin-dependent kinase inhibitors using a new variant of the cope elimination.

Journal: Journal of the American Chemical Society 20060510

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2.

Journal: Journal of medicinal chemistry 20040715

Title: The development of a CDK2-docking site peptide that inhibits p53 and sensitizes cells to death.

Journal: Cell cycle (Georgetown, Tex.) 20040101

Title: Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor.

Journal: Nature structural biology 20021001

Title: Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives.

Journal: Journal of medicinal chemistry 20020801

Title: Rigas AC, et al. Therapeutic potential of CDK inhibitor NU2058 in androgen-independent prostate cancer. Oncogene. 2007 Dec 6;26(55):7611-7619.

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SDS
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