High impact information on NAD

• Several catalyzed alkylation reactions of 9-methyladenine by a model [CPI, cyclopropa[c]pyrrolo[3,2-e]indol-4(5H)-one (1)] of duocarmycin anticancer drugs have been compared to the uncatalyzed reaction in gas phase and in water solvent bulk, using density functional theory at the B3LYP level with the 6-31+G(d,p) basis set and C-PCM solvation model [1].
• Stepwise migration of coordinated Pt(II) from the endocyclic N1 site to the exocyclic amino group occurs in the bis(9-methyladenine-N1) complex of cis-Pt(II)(NH(3))(2) in basic solution, whereafter deamination of the 9-methyladenine still coordinated at N-1 competes with a second migration step [2].
• Hydrogen-bonding effects in the real crystalline structure of 9-methyladenine, 9-MA, were studied using calculated electric field gradient, EFG, and chemical shielding, CS, tensors for nitrogen and hydrogen nuclei via density functional theory [3].
• A new antileukemic alkaloid, agelasine G (1a), has been isolated from the Okinawan marine sponge Agelas sp. and its structure elucidated to be a bromopyrrole alkaloid containing 9-methyladenine and diterpene moieties on the basis of the spectroscopic data [4].
• Metabolic N-oxidation of adenine, 9-methyladenine, 9-benzyladenine, 9-benzhydryladenine and 9-trityladenine has been investigated using hepatic microsomes from hamster, guinea-pig, rabbit, mouse, rat, and dog [5].

Associations of NAD with other chemical compounds

• In vitro metabolism of adenine, 9-methyladenine, and 9-benzyladenine using hepatic microsomes of hamster, mouse and rat was investigated [6].

Gene context of NAD

• The experimental static deformation density of 9-methyladenine was obtained in a deformation refinement against the low-temperature X-ray data of Craven & Benci [Acta Cryst. (1981), B37, 1584-1591] [7].

Analytical, diagnostic and therapeutic context of NAD

• Values are in general agreement with those previously obtained from room-temperature X-ray data and with those obtained for 9-methyladenine by neutron diffraction at 126 K [8].

References