3-oxopentanedioic acid

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: 3-oxopentanedioic acid
• 英文别名: acetonedicarboxylic acid；2-Acetylmalonic acid；2-acetylpropanedioic acid
• 化学式: C₅H₆O₅
• 分子量: 146.1
• InChiKey: UCOSJYDCOFLFHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  91.7
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-oxopentanedioic acid 在 乙酸酐 作用下， 生成 acetone dicarboxylic acid anhydride
  参考文献：
  名称：

  Pyridine gametocides

  摘要：

  本发明涉及使用2,6-双(三氟甲基)-3-甲氧羰基-4-羟基吡啶及其某些衍生物作为配子杀灭剂。

  公开号：

  EP0276204A3

文献信息

• Pyrimidine derivatives
  申请人：Nisshin Flour Milling Co., Ltd.

  公开号：US05736550A1

  公开（公告）日：1998-04-07

  Pyrimidine derivatives useful as a gastrointestinal prokinetic agent, represented by formula ##STR1## wherein X is O or NR.sup.5, Y is O, S or NR.sup.5 wherein R.sup.5 is a hydrogen atom, a C.sub.1 -C.sub.6 alkyl group or the like; R.sup.1 and R.sup.2 may be the same or different and each is a hydrogen atom, a C.sub.1 -C.sub.6 alkyl group or the like; R.sup.3 is CN, or COOR.sup.6 wherein R.sup.6 is a C.sub.1 -C.sub.6 alkyl group, a C.sub.3 -C.sub.6 cycloalkyl group, an aryl group or the like; R.sup.4 is --SR.sup.7 or --NR.sup.8 R.sup.9 wherein R.sup.7 is a C.sub.1 -C.sub.6 alkyl group; R.sup.8 is a C.sub.1 -C.sub.6 alkyl group or the like; R.sup.9 is a hydrogen atom, a C.sub.1 -C.sub.6 alkyl group or the like, or R.sup.8 and R.sup.9 may represent, together with the nitrogen atom to which they are attached, an N-substituted piperazine ring of formula (X) ##STR2## wherein R.sup.10 represents a C.sub.1 -C.sub.6 alkyl group or the like or a pharmacologically acceptable salt thereof. The above-mentioned compounds are useful as a gastrointestinal prokinetic agent used for the therapy of digestive tract diseases.

  嘧啶衍生物可用作胃肠促动力药物，其化学式表示为##STR1##其中X为O或NR.sup.5，Y为O、S或NR.sup.5，其中R.sup.5为氢原子、C.sub.1 -C.sub.6烷基或类似物；R.sup.1和R.sup.2可以相同也可以不同，每个都是氢原子、C.sub.1 -C.sub.6烷基或类似物；R.sup.3为CN，或COOR.sup.6，其中R.sup.6为C.sub.1 -C.sub.6烷基、C.sub.3 -C.sub.6环烷基、芳基或类似物；R.sup.4为--SR.sup.7或--NR.sup.8 R.sup.9，其中R.sup.7为C.sub.1 -C.sub.6烷基；R.sup.8为C.sub.1 -C.sub.6烷基或类似物；R.sup.9为氢原子、C.sub.1 -C.sub.6烷基或类似物，或R.sup.8和R.sup.9可以与它们连接的氮原子一起表示为化学式(X)的N-取代哌嗪环，其中R.sup.10代表C.sub.1 -C.sub.6烷基或类似物，或其药理学上可接受的盐。上述化合物可用作治疗消化道疾病的胃肠促动力药物。
• Bicyclic amine derivatives
  申请人：ZENECA Limited

  公开号：US05968947A1

  公开（公告）日：1999-10-19

  A compound of formula (I): ##STR1## wherein A represents a bidentate group of formula --CH.sub.2 --X--CH.sub.2 -- (wherein X is methylene, sulfur or oxygen), X'C.dbd.CY or X'WC--CYZ (wherein X', W, Y and Z are independently hydrogen, hydroxy, acyloxy, alkoxy, alkylsilyloxy, cyano or halogen, or X' and W or Y and Z together with the carbon to which they are attached form a carbonyl group), provided that A is not CH.sub.2 --CH.sub.2 ; Ar is an optionally substituted phenyl or 5-or 6-membered heterocyclic ring system containing from 1 to 3 heteroatoms individually selected from nitrogen, oxygen and sulfur atoms, and at least one unsaturation (double bond) between adjacent atoms in the ring, said heterocyclic ring being optionally fused to a benzene ring; aryl, heteroaryl, aralkyl, heteroarylalkyl, alkenyl, aralkenyl, alkynyl, alkoxycarbonyl, alkanesulfonyl, arenesulfonyl, alkanyloxycarbonyl, aralkyloxycarbonyl, aryloxycarbonyl, heterocyclylalkyl, carbamyl, dithiocarboxyl moieties of R, R.sup.3 and R.sup.4 comprise from 1 to 15 carbon atoms, and are optionally substituted with one or more substituents selected from, halogen, cyano, carboxyl, carboxylic acyl, carbamyl, alkoxycarbonyl, alkoxy, alkylenedioxy, hydroxy, nitro, haloalkyl, alkyl, amino, acylamino, imidate and phosphonato groups; or an acid addition salt, quaternary ammonium salt or N-oxide derived therefrom; an insecticidal, acaricidal or nematicidal composition comprising a compound of formula (I) and a suitable carrier or diluent therefor; a method of combating and controlling insect, acarine or nematode pests at a locus which comprises treating the pests or the locus of the pests with an effective amount of a compound of formula (I) or a composition as hereinbefore described.

  式(I)的化合物：其中A代表具有式--CH.sub.2 --X--CH.sub.2 --（其中X为亚甲基、硫或氧）的双齿基团，X'C.dbd.CY或X'WC--CYZ（其中X'、W、Y和Z独立地为氢、羟基、酰氧基、烷氧基、烷基硅氧基、氰基或卤素，或者X'和W或Y和Z与它们连接的碳共同形成羰基），前提是A不是CH.sub.2 --CH.sub.2；Ar是一个可选取代的苯基或含有1至3个异原子（分别选自氮、氧和硫原子）的5或6元杂环环系统，且环中相邻原子之间至少有一个不饱和度（双键），所述杂环环可选地与苯环融合；芳基、杂芳基、芳基烷基、杂芳基烷基、烯基、芳基烯基、炔基、烷氧羰基、烷磺酰基、芳磺酰基、烷氧羰基、芳基烷氧羰基、芳氧羰基、杂环烷基、氨基、二硫代羧酸酯基团的R、R.sup.3和R.sup.4由1至15个碳原子组成，并且可选地取代为一个或多个卤素、氰基、羧基、羧酰基、氨基、烷氧羰基、烷氧基、烷二氧基、羟基、硝基、卤代烷基、烷基、氨基、酰胺基、亚胺酯和膦酸盐基团；或其酸加合盐、季铵盐或N-氧化物；一种含有式(I)化合物的杀虫剂、杀螨剂或杀线虫剂组合物，以及适当的载体或稀释剂；一种用于对抗和控制昆虫、螨虫或线虫害虫的方法，包括用有效量的式(I)化合物或前述的组合物处理害虫或害虫的场所。
• 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives
  申请人：——

  公开号：US20020115662A1

  公开（公告）日：2002-08-22

  This invention is directed to 3-(diarylmethylene)-8-azabicyclo[3.2.1]octane derivatives useful as &dgr;-opioid or &mgr;-opioid receptor modulators. Depending on their agonist or antagonist effect, the compounds are useful analgesics, immunosuppressants, antiinflammatory agents, agents for the treatment of neurological and psychiatric conditions, medicaments for drug and alcohol abuse, agents for treating gastritis and diarrhea, cardiovascular agents and agents for the treatment of respiratory diseases.

  这项发明涉及3-(二芳基亚甲基)-8-氮杂双环[3.2.1]辛烷衍生物，可用作δ-阿片或μ-阿片受体调节剂。根据它们的激动剂或拮抗剂作用，这些化合物可用作止痛药、免疫抑制剂、抗炎药、治疗神经和精神疾病的药物、药物和酒精滥用的药物、治疗胃炎和腹泻的药物、心血管药物和治疗呼吸道疾病的药物。
• Azabicyclo derivatives and their use as antiemetics
  申请人：Nisshin Flour Milling Co., Ltd.

  公开号：US05187166A1

  公开（公告）日：1993-02-16

  Azabicyclo derivatives of formula (I) and pharmaceutically acceptable salts thereof: ##STR1## wherein A is a group of formula (a), (b) or (c): ##STR2## wherein R.sub.1 is hydrogen, C.sub.1 -C.sub.10 alkyl, aralkyl or di(C.sub.1 -C.sub.4) alkylamino(C.sub.1 -C.sub.6)alkyl; R.sub.2, R.sub.3 and R.sub.4 may be the same or different and each is hydrogen, amino, halogen, C.sub.1 -C.sub.4 alkoxy or phthalimide; X is O or NH; R is C.sub.1 -C.sub.4 alkyl; and Y is NR, O or S; having 5-HT.sub.3 receptor antagonist activity.

  公式（I）的氮杂双环衍生物及其药学上可接受的盐：##STR1## 其中，A是式（a）、（b）或（c）的一种基团：##STR2## 其中，R.sub.1是氢、C.sub.1-C.sub.10烷基、芳基烷基或二（C.sub.1-C.sub.4）烷基氨基（C.sub.1-C.sub.6）烷基；R.sub.2、R.sub.3和R.sub.4可以相同也可以不同，每个是氢、氨基、卤素、C.sub.1-C.sub.4烷氧基或邻苯二甲酰亚胺基；X是O或NH；R是C.sub.1-C.sub.4烷基；Y是NR、O或S；具有5-HT.sub.3受体拮抗活性。
• Salts of
  申请人：Valeas S.p.A.

  公开号：US04411902A1

  公开（公告）日：1983-10-25

  The invention relates to new salts of endo-8-methyl-8-syn-alkyl-8-azoniabicyclo-[3.2.1]-octane-3-alkylcarboxylat es, of formula: ##STR1## in which R.sub.1 is a linear or branched alkyl radical of 2-5 C atoms, a cycloalkyl radical of 3-6 C atoms, or a phenyl-alkyl radical, R.sub.3 and R.sub.4, which can be the same or different, are alkyl radicals of 1-6 C atoms, X is a halide ion. The new compounds are potent spasmolytics.

  本发明涉及新的内-8-甲基-8-合成-烷基-8-氮杂双环[3.2.1]辛烷-3-烷基羧酸盐，其化学式为：##STR1## 其中R.sub.1是2-5个C原子的线性或支链烷基基团、3-6个C原子的环烷基基团或苯基-烷基基团，R.sub.3和R.sub.4可以相同也可以不同，是1-6个C原子的烷基基团，X是卤离子。这些新化合物具有很强的平滑肌松弛作用。