发明名称 HIGHLY EFFICIENT POLARIZING AGENTS FOR DYNAMIC NUCLEAR POLARIZATION
摘要 The invention relates to compounds of general formula (I) wherein X is C═O or SO2, M is NR2 or O, and Q1 and Q2 are nitroxide-containing radicals, and their use as a Dynamic Nuclear Polarization (DNP) agent for polarizing an NMR-active spin of a nucleus of an analyte in Nuclear Magnetic Resonance (NMR) spectroscopy.;
申请公布号 US2016046643(A1) 申请公布日期 2016.02.18
申请号 US201414783134 申请日期 2014.04.11
申请人 BRUKER BIOSPIN S.A.S. 发明人 SAUVEE Claire;CASANO Gilles;OUARI Olivier;TORDO Paul;AUSSENAC Fabien;ROSAY Melanie
分类号 C07D491/20;G01N24/08;C07D401/14;C07D401/12;C07D221/20;C07D211/94 主分类号 C07D491/20
代理机构 代理人
主权项 1. A compound of general formula (I) wherein: M is NR2 or O; X is CO or SO2; a is 1 or 0; R1 is H; (CH2)o-E, wherein o is an integer from 1 to 10 and E is COOH, OH, NH2, N3, C≡CH, P(O)(OH)2, P(O)(OR13)2, P(O)(OR13)(R13), P(O)R132 or SSO2Me; (CH2−CH2—O)m—CH3 or (CH2—CH2—O)m—H, wherein m is an integer from 1 to 500; or wherein p is an integer from 0 to 7 and q is an integer from 1 to 500; R2 is independently, as defined for R1; or if X is CO, a is 1 and M is NR2, R1 and R2 form together with the group X and the atoms to which they are bound a 5- or 6-membered heterocyclic ring which may be substituted; and Q1 and Q2 are independently of each other a cyclic or acyclic nitroxide of formula: wherein R3 and R4 are, independently, a substituted or unsubstituted linear, branched or cyclic C1-6 aliphatic group; a substituted or unsubstituted linear, branched or cyclic heteroaliphatic group comprising 5 C atoms and one heteroatom or heteroatomic group, respectively, selected from O, S,—NR12—,P(O)(OR13) and P(O)(R13); a substituted or unsubstituted aryl; a substituted or unsubstituted heteroaryl, or a substituted or unsubstituted 2,2,7,7-tetramethyl isoindolinoxyl; or R3 and R4 are joined, as indicated by to form together with the nitrogen atom to which they are bound a 5- to 8-membered heterocyclic ring and which may contain an additional heteroatom or heteroatomic group selected from P(O)(OR13), P(O)(R13), O, S, N+—O−, NH, N(C1-C6 alkyl) wherein the alkyl is straight, branched or cyclic, wherein the heterocyclic ring may contain one double bond and bears from one substituent to the maximum possible number of substituents on the carbon atoms; and with the proviso that the two groups R3 or R4 together do not contain more than one hydrogen alpha to the (N—O.) group; R12 is hydrogen, hydroxyl; a substituted or unsubstituted linear, branched or cyclic C1-6 alkyl; C1-6 alkylcarbonyl; a substituted or unsubstituted C1-6 alkyl sulfonyl; a substituted or unsubstituted C1-6 alkyl sulfinyl; a substituted or unsubstituted aryl sulfinyl; or a substituted or unsubstituted aryl sulfonyl; R13 is linear or branched C1-18 alkyl; wherein the point of attachment of the nitrogen atom, the group X or the group M by a single bond, as indicated by is to a primary or secondary non-olefinic or aromatic C atom of either R3 or R4, or to a C atom of the 5- to 8-membered heterocyclic ring formed by the joining of R3 and R4, with the proviso that the compound of formula (I) is not 4,4 ureylene-di-(2,2,6,6-tetramethylpiperidinyloxyl)
地址 Wissembourg Cédex FR