(Z)-3-(benzo[d][1,3]dioxol-5-yl-methyl)-5-((2-(2-(2-hydroxyethoxy)ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: (Z)-3-(benzo[d][1,3]dioxol-5-yl-methyl)-5-((2-(2-(2-hydroxyethoxy)ethylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
• 英文别名: 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[2-(2-hydroxyethoxy)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one；(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
• 化学式: C₂₄H₂₂N₄O₆S₂
• 分子量: 526.594
• InChiKey: JCLODRDPIGGWCF-UNOMPAQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  36
• 可旋转键数：
  9
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  170
• 氢给体数：
  2
• 氢受体数：
  10

文献信息

• 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS
  申请人：Kotnik Miha

  公开号：US20090247516A1

  公开（公告）日：2009-10-01

  The present invention concerns novel azolidine compounds of Formula (I) wherein X denotes S, NH, CH2 or O, Y and W denotes each independently S or O, Q denotes CH or N, n and m are an integer from 0 to 2, and R1 and R2 denote independently from each other hydrogen, optionally substituted aryl, optionally substituted heterocyclyl, or an optionally substituted (C1-10) aliphatic group, R3 denotes hydrogen, lower alkyl, halogen, lower alkoxy, nitro, and R4 and R5 denote independently from each other hydrogen, halogen or alkyl, with the proviso that if one of R1 and R2 is hydrogen then the respective other one of R1 and R2 does not denote substituted or unsubstituted 2-furyland their salts, that are useful as pharmaceutical agents, e.g. as antibacterial agents, and to pharmaceutical compositions comprising such compounds.

  本发明涉及式（I）的新型氮杂环化合物，其中X表示S、NH、CH2或O，Y和W各自独立地表示S或O，Q表示CH或N，n和m是0到2的整数，R1和R2各自独立地表示氢、可选取代芳基、可选取代杂环基或可选取代（C1-10）脂肪基，R3表示氢、低碳烷基、卤素、低碳烷氧基、硝基，R4和R5各自独立地表示氢、卤素或烷基，但如果R1和R2中的一个是氢，则另一个分别不表示取代或未取代的2-呋喃基。该化合物及其盐可用作制药剂，例如作为抗菌剂，并用于包含该化合物的制药组合物。
• 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents
  申请人：LEK Pharmaceuticals d.d.

  公开号：EP1916249A1

  公开（公告）日：2008-04-30

  The present invention concerns novel azolidine compounds of formula wherein X denotes S, NH, CH2 or O, Y and W denotes each independently S or O, Q denotes CH or N, n and m are an integer from 0 to 2, and R1 and R2 denote independently from each other hydrogen, optionally substituted aryl, optionally substituted heterocyclyl, or an optionally substituted (C1-10) aliphatic group, R3 denotes hydrogen, lower alkyl, halogen, lower alkoxy, nitro, and R4 and R5 denote independently from each other hydrogen, halogen or alkyl, with the proviso that if one of R1 and R2 is hydrogen then the respective other one of R1 and R2 does not denote substituted or unsubstituted 2-furyland their salts, that are useful as pharmaceutical agents, e.g. as antibacterial agents, and to pharmaceutical compositions comprising such compounds.

  本发明涉及式如下的新型氮杂环丁烷化合物 其中 X 表示 S、NH、CH2 或 O，Y 和 W 各自独立地表示 S 或 O，Q 表示 CH 或 N，n 和 m 是 0 至 2 的整数，R1 和 R2 各自独立地表示氢、任选取代的芳基、任选取代的杂环基或任选取代的 (C1-10) 脂肪族基团，R3 表示氢、R3表示氢、低级烷基、卤素、低级烷氧基、硝基，R4 和 R5 各自表示氢、卤素或烷基，但如果 R1 和 R2 中的一个是氢，则 R1 和 R2 中的另一个不表示取代或未取代的 2-糠基它们的盐。例如作为抗菌剂，以及包含这些化合物的药物组合物。
• [EN] 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS<br/>[FR] DÉRIVÉS DE 3-(BENZO [D] [1,3] DIOXOL-5-YLMÉTHYL)-4-(THIO) OXO-2-(THIO) OXO-AZOLIDIN-5-YLIDÈNE EN TANT QU'AGENTS ANTIBACTÉRIENS
  申请人：LEK PHARMACEUTICAL D D

  公开号：WO2008043733A1

  公开（公告）日：2008-04-17

  [EN] The present invention concerns novel azolidine compounds of Formula (I) wherein X denotes S, NH, CH2 or O, Y and W denotes each independently S or O, Q denotes CH or N, n and m are an integer from 0 to 2, and R1 and R2 denote independently from each other hydrogen, optionally substituted aryl, optionally substituted heterocyclyl, or an optionally substituted (C1-10) aliphatic group, R3 denotes hydrogen, lower alkyl, halogen, lower alkoxy, nitro, and R4 and R5 denote independently from each other hydrogen, halogen or alkyl, with the proviso that if one of R1 and R2 is hydrogen then the respective other one of R1 and R2 does not denote substituted or unsubstituted 2-furyland their salts, that are useful as pharmaceutical agents, e.g. as antibacterial agents, and to pharmaceutical compositions comprising such compounds.
  [FR] La présente invention concerne des composés d'azolidine innovants de formule (I), dans laquelle X dénote S, NH, CH₂ ou O, Y et W dénotent chacun indépendamment S ou O, Q dénote CH ou N, n et m sont des nombres entiers de 0 à 2 et R¹ et R² dénotent indépendamment l'un de l'autre un hydrogène, un aryle facultativement substitué, un hétérocyclyle facultativement substitué ou un groupe aliphatique en (C₁-₁₀) facultativement substitué, R³ dénote un hydrogène, un alkyle inférieur, un halogène, un alcoxy inférieur, un nitro, et R⁴ et R⁵ dénotent indépendamment l'un de l'autre un hydrogène, un halogène ou un alkyle, à la condition que, si l'un des deux radicaux R¹ et R² est un hydrogène, l'autre radical respectif, R² ou R¹, ne dénote pas un 2-furyle substitué ou non substitué. L'invention concerne lesdits composés et leurs sels qui sont utilisables en tant qu'agents pharmaceutiques, par exemple en tant qu'agents antibactériens, et des compositions pharmaceutiques comprenant de tels composés.