Structures of quinone imine metabolites related to the anti-cancer drug amsacrine [0.03%]
与抗肿瘤药物氨硫脲相关的醌亚胺代谢产物的结构研究
G R Clark,K Robinson,W A Denny et al.
G R Clark et al.
(5): N-(9-Acridinyl)-3-methoxy-1,4-benzoquinone monoimine, C20H14N2O2, M(r) = 314.3, monoclinic, P2(1)/c, a = 13.451 (8), b = 7.007 (4), c = 17.864 (12) A, beta = 117.26 (4) degrees, V = 1497 (2) A3, Z = 4, Dm = 1.36 (1), Dx = 1.395 g cm-3,...
Structural studies on DNA-binding drugs: crystal structure and molecular dynamics studies of triazoloacridinones [0.03%]
DNA结合药物的结构研究：三氮唑丙烯酸衍生物的晶体结构和分子动力学研究
P Arjunan,S K Arora,W Chalody
P Arjunan
Structural and conformational studies on two 8-substituted triazoloacridinone antitumor agents, C1295 and C1303, have been carried out to compare the conformation of the (aminoalkyl)amino side chain and the effect of C-8 substitution. Cryst...
E F Brès,D Cherns,R Vincent et al.
E F Brès et al.
In the present work, we have determined the space group of human tooth-enamel crystals using--for the first time for a biological crystal--convergent beam electron diffraction (CBED). The symmetries observed in the different patterns we hav...
Molecular structures of L-Leu-L-Tyr, Gly-D,L-Met.p-toluenesulfonate and L-His-L-Leu [0.03%]
L-Leu-L-Tyr，Gly-D,L-Met对甲苯磺酸盐和L-His-L-Leu的分子结构式
J A Krause,P W Baures,D S Eggleston
J A Krause
L-Leu-L-Tyr, (I), C15H22N2O4, M(r) = 294.35, crystallizes from MeOH/5% dimethyl sulfoxide in the orthorhombic space group P2(1)2(1)2(1). a = 5.644 (1), b = 12.094 (3), c = 22.548 (4) A, V = 1539.0 (5) A3, Z = 4, Dx = 1.270 g cm-3, Cu K alph...
A database study of nonbonded intramolecular sulfur-nucleophile contacts [0.03%]
非键合的分子内硫亲核试剂相互作用的数据库研究
F T Burling,B M Goldstein
F T Burling
A search of the Cambridge Structural Database (1991, version 4.5) was performed to investigate nonbonded intramolecular 1,4 S...O close contacts of the kind seen in the thiazole nucleoside tiazofurin and other classes of compounds. The sear...
Solid-state and solution conformations of isotiazofurin: crystallographic, computational and 1H NMR studies [0.03%]
关于异噻叉嘌呤的固态和溶液构象：基于晶体学、量子化学计算及氢谱的研究
H Li,S D Kennedy,B M Goldstein
H Li
Isotiazofurin (C9H12N2O5S, NSC363223) is a thiazole nucleoside analogue of the antitumour agent tiazofurin. The conformation of this analogue has been studied using a variety of experimental and computational techniques. The crystal and mol...
Structural and molecular modeling studies of quinazolinone anticonvulsants [0.03%]
喹唑啉酮抗惊厥药物的结构和分子建模研究
N E Duke,P W Codding
N E Duke
Studies of derivatives of the anticonvulsant methaqualone led to the discovery that unsaturation in the 2-substituent produced active but less toxic compounds; accordingly, 2-arylethanone derivatives have been developed. The crystal structu...
G R Desiraju,S Kashino,M M Coombs et al.
G R Desiraju et al.
An analysis has been made of the C-H...O interactions in cyclopenta[a]phenanthrenes, for which structural data on fifteen 15,16-dihydrocyclopenta[a]-phenanthren-17-ones are available. These compounds mostly contain only one O atom, a carbon...
Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives [0.03%]
两种(抗惊厥)地西泮衍生物的分子及电子结构
M Ciechanowicz-Rutkowska,K Kieć-Kononowicz,S T Howard et al.
M Ciechanowicz-Rutkowska et al.
1-Benzyl-5,5-diphenyl-2,4-dioxo-3-imidazolidineacetic acid (AC), M(r) = 400.434, triclinic, P1, a = 8.7640 (3), b = 11.112 (1), c = 11.323 (2) A, alpha = 102.10 (2), beta = 95.44 (5), gamma = 109.12 (1)., V = 1002.65 (30) A3, Z = 2, Dx = 1....
K Prout,C Bannister,K Burns et al.
K Prout et al.
The crystal and molecular structures of 11 6-substituted pyridazinone derivatives: 6-phenyl-3(2H)-pyridazinone-acetic acid (1/1) (1), 6-(4-aminophenyl)- 3(2H)-pyridazinone (2), 6-(4-aminophenyl)- 5-methyl-3(2H)-pyridazinone (3), 6-(4-acetam...