4,5,6,7-四氢异噁唑并[4,5-c]吡啶-3(2H)-酮 | 53602-00-9

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 4,5,6,7-四氢异噁唑并[4,5-c]吡啶-3(2H)-酮
• 英文名称: 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridin-3-ol
• 英文别名: 4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine-3-ol；4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-3-ol；gaboxadol；THPO；4,5,6,7-tetrahydro-isoxazolo[4,5-c]pyridin-3-one；4,5,6,7-Tetrahydroisoxazolo[4,5-c]pyridin-5-ium-3-olate；4,5,6,7-tetrahydro-[1,2]oxazolo[4,5-c]pyridin-5-ium-3-olate
• CAS: 53602-00-9
• 化学式: C₆H₈N₂O₂
• mdl: MFCD00069279
• 分子量: 140.142
• InChiKey: SXXLKZCNJHJYFL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.9
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4,5,6,7-四氢异噁唑并[4,5-c]吡啶-3(2H)-酮 、 [11C]ethylketene 生成 5-(111C)butanoyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-one
  参考文献：
  名称：

  FUJII, RVOU;IMAHORI, YOSHIO;IDO, TATSUO;YAGYU, TAKEHIKO;HORII, HITOSHI;WA+, J. LABELL. COMPOUNDS AND RADIOPHARM. , 29,(1991) N, C. 497-505

  摘要：

  DOI：
• 作为产物：
  描述：

  3-ethyl-1-methyl-4-oxopiperidine-1,3-dicarboxylate 在 盐酸 、 氢氧化钾 、 氢溴酸 、 羟胺 、 对甲苯磺酸 作用下， 以 甲醇 、 溶剂黄146 、 苯 为溶剂， 生成 4,5,6,7-四氢异噁唑并[4,5-c]吡啶-3(2H)-酮
  参考文献：
  名称：

  Krogsgaard-Larsen; Hjeds, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1974, vol. 28, # 5, p. 533 - 538

  摘要：

  DOI：

文献信息

• [EN] NEW BICYCLIC COMPOUNDS AS ATX INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS BICYCLIQUES UTILISÉS EN TANT QU'INHIBITEURS D'ATX
  申请人：HOFFMANN LA ROCHE

  公开号：WO2018167113A1

  公开（公告）日：2018-09-20

  The invention provides novel compounds having the general formulas (I), (II), wherein R1, R2, Y, W, A, X, m and n are as defined herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有一般式(I)、(II)的新化合物，其中R1、R2、Y、W、A、X、m和n的定义如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• [EN] POSITIVE ALLOSTERIC MODULATORS OF MGLUR2<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DE MGLUR2
  申请人：MERCK SHARP & DOHME

  公开号：WO2011109277A1

  公开（公告）日：2011-09-09

  The present invention is directed to 5-substituted 1,3-dihydro-2,1,3-benzothiadiazole 2,2-dioxide and 1,3-dihydro[1,2,5]thiadiazolo[3,4-b]pyridine 2,2,-dioxide derivatives which are potentiators of metabotropic glutamate receptors, particularly the mGluR2 receptor, and which are useful in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction and diseases in which metabotropic glutamate receptors are involved. The invention is also directed to pharmaceutical compositions comprising these compounds and the use of these compounds and compositions in the prevention or treatment of such diseases in which metabotropic glutamate receptors are involved.

  本发明涉及5-取代的1,3-二氢-2,1,3-苯并噻二唑-2,2-二氧化物和1,3-二氢[1,2,5]噻二唑并[3,4-b]吡啶-2,2-二氧化物衍生物，它们是代谢型谷氨酸受体的增强剂，特别是mGluR2受体，并且在治疗或预防与谷氨酸功能障碍相关的神经和精神疾病以及代谢型谷氨酸受体参与的疾病中非常有用。该发明还涉及含有这些化合物的药物组合物以及这些化合物和组合物在预防或治疗涉及代谢型谷氨酸受体的疾病中的用途。
• LONG-CHAIN FATTY ACYL ELONGASE INHIBITOR COMPRISING ARYLSULFONYL DERIVATIVE AS ACTIVE INGREDIENT
  申请人：Jitsuoka Makoto

  公开号：US20110009622A1

  公开（公告）日：2011-01-13

  [Problem] To provide compounds useful as preventives or remedies for circular system disorders, nervous system disorders, metabolic disorders, reproduction system disorders, digestive system disorders, neoplasm, infectious diseases, etc., or as herbicides. [Means for Solution] A long-chain fatty acyl elongase inhibitor comprising, as the active ingredient thereof, a compound or a pharmaceutically-active salt thereof of a formula (I): [wherein W represents a hydrogen atom, a C 1-6 alkyl, etc.; X represents an aryl, a heteroaryl, etc.; n indicates 0 or 1; Z represents a hydrogen atom, a C 1-6 alkyl, etc.; A 1 , A 2 , A 3 and A 4 each independently represent CH or N].

  提供化合物，可用作循环系统紊乱、神经系统紊乱、代谢紊乱、生殖系统紊乱、消化系统紊乱、肿瘤、传染病等的预防或治疗，或用作除草剂的方法。一种长链脂肪酰基延长酶抑制剂，其作为活性成分包括下述公式（I）的化合物或其药用活性盐：[其中，W代表氢原子、C1-6烷基等；X代表芳基、杂环芳基等；n表示0或1；Z代表氢原子、C1-6烷基等；A1，A2，A3和A4分别独立地代表CH或N]。
• CONJUGATES OF POLYUNSATURATED FATTY ACIDS AND AMINE-CONTAINING COMPOUNDS AND USES THEREOF
  申请人：MedWell Laboratories Ltd.

  公开号：US20160120995A1

  公开（公告）日：2016-05-05

  Novel chemical conjugates derived from unsaturated fatty acids and therapeutically active agents, are disclosed. The chemical conjugates are designed and characterized as COX-2 and/or 5-LOX inhibitors and are useful in the treatment of inflammatory diseases, dermatitis and disorders such as Alzheimer's disease, Parkinson's disease, asthma, osteoarthritis, rheumatoid arthritis, pain, primary dysmenorrhea, Crohn's disease and ulcerative colitis.

  本发明揭示了从不饱和脂肪酸和治疗活性剂衍生的新型化学共轭物。这些化学共轭物被设计和表征为COX-2和/或5-LOX抑制剂，并可用于治疗炎症性疾病、皮炎和阿尔茨海默病、帕金森病、哮喘、骨关节炎、类风湿性关节炎、疼痛、原发性痛经、克罗恩病和溃疡性结肠炎等疾病。
• Dopamine analog amide
  申请人：——

  公开号：US20010056116A1

  公开（公告）日：2001-12-27

  The invention involves the formation of a prodrug from a fatty acid carrier and a neuroactive drug. The prodrug is stable in the environment of both the stomach and the bloodstream and may be delivered by ingestion. The prodrug passes readily through the blood brain barrier. Once in the central nervous system, the prodrug is hydrolyzed into the fatty acid carrier and the drug to release the drug. In a preferred embodiment, the carrier is 4, 7, 10, 13, 16, 19 docosahexa-enoic acid and the drug is dopamine. Both are normal components of the central nervous system. The covalent bond between the drug and the carrier preferably is an amide bond, which bond may survive the conditions in the stomach. Thus, the prodrug may be ingested and will not be hydrolyzed completely into the carrier molecule and drug molecule in the stomach.

  该发明涉及使用脂肪酸载体和神经活性药物形成前药。该前药在胃和血液流动环境中稳定，并可通过口服递送。该前药容易穿过血脑屏障。一旦进入中枢神经系统，前药被水解成脂肪酸载体和药物以释放药物。在首选实施方式中，载体是4,7,10,13,16,19二十二碳六烯酸，药物是多巴胺。两者都是中枢神经系统的正常成分。药物和载体之间的共价键通常是酰胺键，这种键可以在胃的条件下存活。因此，前药可以被摄入，并且不会在胃中完全水解成载体分子和药物分子。