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161058-83-9 | 9H-Purin-2-amine, 6-(cyclohexylmethoxy)-
CAS No: 161058-83-9 Catalog No: AG001VLL MDL No:MFCD05664734
Product Description
Catalog Number:
AG001VLL
Chemical Name:
9H-Purin-2-amine, 6-(cyclohexylmethoxy)-
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 |
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