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189232-42-6 | 1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
CAS No: 189232-42-6 Catalog No: AG002I3L MDL No:
Product Description
Catalog Number:
AG002I3L
Chemical Name:
1-Propanol, 3-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-
CAS Number:
189232-42-6
Molecular Formula:
C18H24N6O
Molecular Weight:
340.4228
IUPAC Name:
3-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]propan-1-ol
InChI:
InChI=1S/C18H24N6O/c1-13(2)24-12-21-15-16(20-11-14-7-4-3-5-8-14)22-18(23-17(15)24)19-9-6-10-25/h3-5,7-8,12-13,25H,6,9-11H2,1-2H3,(H2,19,20,22,23)
InChI Key:
OPQGFIAVPSXOBO-UHFFFAOYSA-N
SMILES:
OCCCNc1nc(NCc2ccccc2)c2c(n1)n(cn2)C(C)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.201g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
340.431g/mol
Monoisotopic Mass:
340.201g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery. | The Biochemical journal 20130415 |
| Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity. | Nature biotechnology 20111101 |
| Human galectin-3 interacts with two anticancer drugs. | Proteomics 20100501 |
| The radiosensitising effect of olomoucine derived synthetic cyclin-dependent kinase inhibitors. | Neoplasma 20100101 |
| Inhibition of human immunodeficiency virus type-1 by cdk inhibitors. | AIDS research and therapy 20100101 |
| Cellular phototoxicity evoked through the inhibition of human ABC transporter ABCG2 by cyclin-dependent kinase inhibitors in vitro. | Pharmaceutical research 20090201 |
| Hydrolytic cleavage of N6-substituted adenine derivatives by eukaryotic adenine and adenosine deaminases. | Bioscience reports 20081201 |
| A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases. | Proceedings of the National Academy of Sciences of the United States of America 20071218 |
| Zinc(II) complexes with potent cyclin-dependent kinase inhibitors derived from 6-benzylaminopurine: synthesis, characterization, X-ray structures and biological activity. | Journal of inorganic biochemistry 20060201 |
| In vitro and in vivo pharmacokinetic-pharmacodynamic relationships for the trisubstituted aminopurine cyclin-dependent kinase inhibitors olomoucine, bohemine and CYC202. | Clinical cancer research : an official journal of the American Association for Cancer Research 20050701 |
| Meiotic inhibition with different cyclin-dependent kinase inhibitors in bovine oocytes and its effects on maturation and embryo development. | Zygote (Cambridge, England) 20040801 |
| Cassette dosing pharmacokinetics of a library of 2,6,9-trisubstituted purine cyclin-dependent kinase 2 inhibitors prepared by parallel synthesis. | Molecular cancer therapeutics 20040301 |
| Mixed ligand complexes of platinum(II) and palladium(II) with cytokinin-derived compounds Bohemine and Olomoucine: X-ray structure of [Pt(BohH+-N7)Cl(3)].9/5H2O [Boh=6-(benzylamino)-2-[(3-(hydroxypropyl)-amino]-9-isopropylpurine, Bohemine]. | Journal of inorganic biochemistry 20030401 |
| Synthesis and biological activity of olomoucine II. | Bioorganic & medicinal chemistry letters 20021118 |
| In vitro biotransformation of 2,6,9-trisubstituted purine-derived cyclin-dependent kinase inhibitor bohemine by mouse liver microsomes. | Xenobiotica; the fate of foreign compounds in biological systems 20021101 |
| Synthetic inhibitors of CDKs induce different responses in androgen sensitive and androgen insensitive prostatic cancer cell lines. | Molecular pathology : MP 20020801 |
| Application of proteomics in the search for novel proteins associated with the anti-cancer effect of the synthetic cyclin-dependent kinases inhibitor, bohemine. | Technology in cancer research & treatment 20020801 |
| Antiproliferative effect of plant cytokinin analogues with an inhibitory activity on cyclin-dependent kinases. | Leukemia 20020301 |
| Comparison of the TUNEL, lamin B and annexin V methods for the detection of apoptosis by flow cytometry. | Acta histochemica 20020101 |
| Remodeling of donor nuclei, DNA-synthesis, and ploidy of bovine cumulus cell nuclear transfer embryos: effect of activation protocol. | Molecular reproduction and development 20010801 |
| In vivo metabolism of 2,6,9-trisubstituted purine-derived cyclin-dependent kinase inhibitor bohemine in mice: glucosidation as the principal metabolic route. | Drug metabolism and disposition: the biological fate of chemicals 20010301 |
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