2-(1-Adamantyl)-1-{4-[(2-chloro-9-isopropyl-9H-purin-6-yl)aminomethyl]phenyl}ethanone

被引:7
作者
Rouchal, Michal [1 ]
Necas, Marek [2 ]
de Carvalho, Fabiana Pires [1 ]
Vicha, Robert [1 ]
机构
[1] Tomas Bata Univ Zlin, Dept Chem, Fac Technol, Zlin 76272, Czech Republic
[2] Masaryk Univ, Fac Sci, Dept Chem, Brno 62500, Czech Republic
来源
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2009年 / 65卷
关键词
DEPENDENT KINASE INHIBITOR; OLOMOUCINE-II; PURINES;
D O I
10.1107/S160053680900052X
中图分类号
O7 [晶体学];
学科分类号
0702 ; 070205 ; 0703 ; 080501 ;
摘要
The structure of the title compound, C27H32ClN5O, consists of two crystallographically independent conformers differing slightly in all geometric parameters. Both contain nearly planar purine and benzene ring systems [ maximum deviations of 0.046 (3) and 0.005 (2) angstrom, respectively], the dihedral angles between them being 76.44 (6) and 82.39 (6)degrees, and an adamantane cage consisting of three fused cyclohexane rings in almost ideal chair conformations, with C-C-C angles in the range 108.7 (2)-110.6 (2)degrees. The carbonyl plane and the benzene ring are almost coplanar [dihedral angles of 6.43 (9) and 0.64 (8)degrees in the two conformers]. The crystal structure is stabilized by intermolecular N-H center dot center dot center dot N interactions that link adjacent molecules into dimers and by some non-bonding contacts of the C-H center dot center dot center dot Cl type.
引用
收藏
页码:O298 / U1953
页数:19
相关论文
共 16 条
[11]   N-[2-(azepan-1-yl)-9-isopropyl-9H-purin-6-yl]-4-methoxybenzylamine [J].
Trávnícek, Z ;
Zatloukal, M .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2004, 60 :O924-O926
[12]   2-chloro-6-[(4-hydroxy-3,5-dimethoxybenzyl)amino]-9-isopropylpurine [J].
Travnicek, Zdenek ;
Popa, Igor .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 :O728-O730
[13]   2-chloro-6-[(2,6-dimethoxybenzyl)amino]9-isopropylpurine 0.125-hydrate [J].
Travnicek, Zdenek ;
Popa, Igor .
ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE, 2007, 63 :O629-O631
[14]   Water-soluble adamantane-terminated dendrimers possessing a rhenium core [J].
van Bommel, KJC ;
Metsealaar, GA ;
Verboom, W ;
Reinhoudt, DN .
JOURNAL OF ORGANIC CHEMISTRY, 2001, 66 (16) :5405-5412
[15]   INHIBITION OF CYCLIN-DEPENDENT KINASES BY PURINE ANALOGS [J].
VESELY, J ;
HAVLICEK, L ;
STRNAD, M ;
BLOW, JJ ;
DONELLADEANA, A ;
PINNA, L ;
LETHAM, DS ;
KATO, J ;
DETIVAUD, L ;
LECLERC, S ;
MEIJER, L .
EUROPEAN JOURNAL OF BIOCHEMISTRY, 1994, 224 (02) :771-786
[16]   Synthesis and configuration of the cyclin-dependent kinase inhibitor roscovitine and its enantiomer [J].
Wang, SD ;
McClue, SJ ;
Ferguson, JR ;
Hull, JD ;
Stokes, S ;
Parsons, S ;
Westwood, R ;
Fischer, PM .
TETRAHEDRON-ASYMMETRY, 2001, 12 (20) :2891-2894