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Nu2058

CAS No.:
161058-83-9
Catalog Number:
AG001VLL
Molecular Formula:
C12H17N5O
Molecular Weight:
247.2963
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$126
- +
10mg
≥98%
1 week
United States
$175
- +
20mg
>98.0%(HPLC)
1 week
United States
$257
- +
50mg
99%
1 week
United States
$412
- +
100mg
≥98%
1 week
United States
$543
- +
Product Description
Catalog Number:
AG001VLL
Chemical Name:
Nu2058
CAS Number:
161058-83-9
Molecular Formula:
C12H17N5O
Molecular Weight:
247.2963
MDL Number:
MFCD05664734
IUPAC Name:
6-(cyclohexylmethoxy)-7H-purin-2-amine
InChI:
InChI=1S/C12H17N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H3,13,14,15,16,17)
InChI Key:
MWGXGTJJAOZBNW-UHFFFAOYSA-N
SMILES:
Nc1nc(OCC2CCCCC2)c2c(n1)[nH]cn2
NSC Number:
707619
Properties
Complexity:
271  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.143g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
247.302g/mol
Monoisotopic Mass:
247.143g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
6-Oxo and 6-thio purine analogs as antimycobacterial agents. Bioorganic & medicinal chemistry 20130401
The kinase inhibitor O6-cyclohexylmethylguanine (NU2058) potentiates the cytotoxicity of cisplatin by mechanisms that are independent of its effect upon CDK2. Biochemical pharmacology 20090515
Identifying tumor cell growth inhibitors by combinatorial chemistry and zebrafish assays. PloS one 20090101
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. European journal of medicinal chemistry 20080801
EmbR2, a structural homologue of EmbR, inhibits the Mycobacterium tuberculosis kinase/substrate pair PknH/EmbR. The Biochemical journal 20080301
Therapeutic potential of CDK inhibitor NU2058 in androgen-independent prostate cancer. Oncogene 20071206
Novel structural features of CDK inhibition revealed by an ab initio computational method combined with dynamic simulations. Journal of medicinal chemistry 20060824
Searching for cyclin-dependent kinase inhibitors using a new variant of the cope elimination. Journal of the American Chemical Society 20060510
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
N2-substituted O6-cyclohexylmethylguanine derivatives: potent inhibitors of cyclin-dependent kinases 1 and 2. Journal of medicinal chemistry 20040715
The development of a CDK2-docking site peptide that inhibits p53 and sensitizes cells to death. Cell cycle (Georgetown, Tex.) 20040101
Structure-based design of a potent purine-based cyclin-dependent kinase inhibitor. Nature structural biology 20021001
Probing the ATP ribose-binding domain of cyclin-dependent kinases 1 and 2 with O(6)-substituted guanine derivatives. Journal of medicinal chemistry 20020801
Properties