1,8-diazabicyclo-[5,4,0]-undecane | 25739-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 1,8-diazabicyclo-[5,4,0]-undecane
• 英文别名: 1,8-diazabicyclo{5.4.0}undecane；decahydropyrimido[1,2-a]azepine；diazabicycloundecane；1,8-diazabicyclo(5,4,0)-undecane；1,8-diazabicyclo[5.4.0]undecane；1,8-diazabicylo[5.4.0]undecane；1,2,3,4,6,7,8,9,10,10a-decahydropyrimido[1,2-a]azepine
• CAS: 25739-48-4
• 化学式: C₉H₁₈N₂
• 分子量: 154.255
• InChiKey: RWENYVRYDPMMRO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  {Os(η2-PH2S)(CO)2(PPh3)2}CF3SO3 、 1,8-diazabicyclo-[5,4,0]-undecane 以 not given 为溶剂， 生成 Os(η2-PHS)(CO)2(PPh3)2
  参考文献：
  名称：

  Bohle, D. Scott; Rickard, Clifton E. F.; Roper, Warren R., Organometallics, 1990, vol. 9, # 7, p. 2068 - 2080

  摘要：

  DOI：
• 作为产物：
  描述：

  1,8-二氮杂双环[5.4.0]十一碳-7-烯 在 [Ru(CO)2(Ph₄C₄CO)]2 氘代异丙醇 作用下， 以 水 、 甲苯 为溶剂， 反应 1.0h， 生成 1,8-diazabicyclo-[5,4,0]-undecane
  参考文献：
  名称：

  Efficient ruthenium catalyzed transfer hydrogenation of functionalized imines by isopropanol under controlled microwave heating

  摘要：

  采用异丙醇作为氢源，以[Ru(CO)2(Ph4C4CO)]2 (3)为催化剂，研究了各种官能团化的亚胺的转移氢化反应。在甲苯中使用油浴或控制微波加热，实现了高效的过程，具有高转化频率，并且以高收率获得了产物胺。与传统的[Ru2(CO)4(μ-H)(Ph4C4COHOCC4Ph4)] (1)催化剂相比，催化剂3的一个优点是没有诱导期，这使得与1相比，使用3的反应更快。关键词：转移氢化，钌，亚胺，微波。

  DOI：

  10.1139/v05-103
• 作为试剂：
  描述：

  腺苷,2',3'-O-(1-甲基亚乙基)-,5'-氨基磺酸酯 在 三氟乙酸 、 1,8-diazabicyclo-[5,4,0]-undecane 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 5'-O-[(D-prolyl)-sulfamoyl]adenosine
  参考文献：
  名称：

  Synthesis and Aminoacyl-tRNA Synthetase Inhibitory Activity of Prolyl Adenylate Analogs

  摘要：

  Two nonhydrolyzable prolyl adenylate analogs, 5'-O-[N-(L-prolyl)-sulfamoyl]adenosine (L-PSA) and 5'-O-[N-(D-prolyl)-sulfamoyl] adenosine (D-PSA), were prepared in three steps from 2',3'-di-O-isopropylideneadenosine. Both of these compounds inhibited the in vitro activity of Escherichia coli and human prolyl-tRNA synthetase (ProRS). The human enzyme used in this study was derived from the carboxy-terminal domain of the multifunctional human EPRS gene. The K-i(ATP) values for L-PSA, determined using the ATP-PPi exchange assay, are very similar for both synthetases (approximate to 1-2 nM). The K-i(Pro) values, on the other hand, vary approximately seven-fold between the two synthetases (0.6 nM for human and 4.3 nM for E. coli). The K-i values measured for the D-PSA analog are much higher (51-470 nM) for all cases examined; however, the same species-specific differences are observed with respect to K-i(Pro). These results indicate possible structural differences in or near the active sites of the two enzymes that may be exploited in the future design of compounds that function as species-specific synthetase inhibitors in vivo. (C) 1996 Academic Press, Inc.

  DOI：

  10.1006/bioo.1996.0025

文献信息

• Pyrazole compounds as anti-inflammatory and analgesic agents
  申请人：——

  公开号：US20040019045A1

  公开（公告）日：2004-01-29

  This invention provides a compound of the formula (I): 1 wherein: R 1 represents a hydrogen atom, an alkyl group, etc.; R 2 represents a hydrogen atom, a halogen atom, etc.; R 3 represents an alkyl group, etc.; R 4 represents an aryl group, etc.; A represents an aryl 1 , etc; B represents an alkylene etc.; X represents NH, etc.; or a pharmaceutically acceptable ester of such compound, and pharmaceutically acceptable salts thereof. These compounds are useful for the treatment of medical conditions mediated by prostaglandin such as pain, fever or inflammation, etc. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了化合物的结构式(I)： 1 其中： R 1 代表氢原子、烷基等；R 2 代表氢原子、卤原子等；R 3 代表烷基等；R 4 代表芳基等； A代表芳基 1 等；B代表烷基等；X代表NH等； 或者该化合物的药学上可接受的酯，以及其药学上可接受的盐。 这些化合物对于治疗由前列腺素介导的医疗状况，如疼痛、发热或炎症等，具有用处。该发明还提供了包含上述化合物的药物组合物。
• [EN] N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE<br/>[FR] PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES N-SULFONYLÉS ET LEUR PROCÉDÉ D'UTILISATION
  申请人：ABBVIE S Á R L

  公开号：WO2017060874A1

  公开（公告）日：2017-04-13

  The present invention provides for compounds of formula (I) wherein R1, R2, R3, R4, R5, and R6 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sjögren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

  本发明提供了一种具有以下结构的化合物（I），其中R1、R2、R3、R4、R5和R6具有规范中定义的任何值，以及其药学上可接受的盐，这些化合物在治疗由CFTR介导和调节的疾病和症状中是有用的，包括囊性纤维化、Sjögren综合征、胰腺功能不全、慢性阻塞性肺病和慢性阻塞性气道疾病。还提供了由一个或多个具有结构（I）的化合物组成的药物组合物。
• [EN] PHENYL OR PYRIDYL AMIDE COMPOUNDS AS PROSTAGLANDIN E2 ANTAGONISTS<br/>[FR] COMPOSES DE PHENYLE OU DE PYRIDYLE AMIDE UTILES COMME ANTAGONISTES DE LA PROSTAGLANDINE E2
  申请人：PFIZER

  公开号：WO2005021508A1

  公开（公告）日：2005-03-10

  This invention provides a compound of the formula (I): wherein A represents a phenyl group or the like: B represents an aryl or the like: E represents a 1,4-phenylene group; R1 and R2 independently represent a hydrogen atom or the like: R3 and R4 independently represent a hydrogen atom or the like: R5 represents -CO2H or the like:R6 represents an alkyl group having from 1 to 6 carbon atoms or the like: X represents a methylene group or the like. These compounds are useful for the treatment of disease conditions mediated by prostaglandin such as pain, or the like in mammalian. The compounds act as antagonists of the prostaglandin E2 receptor. This invention also provides a pharmaceutical composition comprising the above compound.

  这项发明提供了一个化合物的结构式(I)：其中A代表苯基或类似物：B代表芳基或类似物：E代表1,4-苯基基团；R1和R2独立地代表氢原子或类似物：R3和R4独立地代表氢原子或类似物：R5代表-CO2H或类似物：R6代表具有1至6个碳原子的烷基基团或类似物：X代表亚甲基基团或类似物。这些化合物对于治疗由前列腺素介导的疾病状况，如哺乳动物中的疼痛等，具有用处。这些化合物作为前列腺素E2受体的拮抗剂。这项发明还提供了包含上述化合物的药物组合物。
• [EN] FUSED BICYCLIC INHIBITORS OF MENIN-MLL INTERACTION<br/>[FR] INHIBITEURS BICYCLIQUES FUSIONNÉS DE L'INTERACTION MÉNINE-MLL
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2018050684A1

  公开（公告）日：2018-03-22

  The present invention relates to pharmaceutical agents useful for therapy and/or prophylaxis in a mammal, and in particular to fused bicyclic compounds, pharmaceutical composition comprising such compounds, and their use as menin/MLL protein/protein interaction inhibitors, useful for treating diseases such as cancer, myelodysplastic syndrome (MDS) and diabetes.

  本发明涉及用于治疗和/或预防哺乳动物的药物制剂，特别是融合双环化合物，包括这种化合物的药物组合物，以及它们作为menin/MLL蛋白/蛋白相互作用抑制剂的用途，用于治疗癌症、骨髓增生异常综合征（MDS）和糖尿病等疾病。
• Herbicidal sulfonylurea derivatives
  申请人：ICI AUSTRALIA OPERATIONS PROPRIETARY LIMITED

  公开号：EP0457581A1

  公开（公告）日：1991-11-21

  The invention embraces compounds of formula and salts thereof, wherein : X and Y are independently selected from various optionally substituted alkoxy, alkenyloxy, alkynyoxy and phenoxy groups ; W is oxygen or sulfur; R1 is hydrogen or alkyl ; E is CH or N; R2 and R3 are independently selected from various halo, alkyl, alkoxy and amino substituents. The compounds of the invention show herbicidal properties particularly for the control of broad leaf plants in grass crops such as wheat. In further embodiments the invention provides processes for the preparation of compounds I, intermediates useful in the preparation of compounds of formula I, compositions containing as active ingredient a compound of formula I and herbicidal and plant growth regulating processes utilizing compounds of formula I.

  该发明涵盖了以下化合物及其盐，其中：X和Y分别选自各种可选择取代的烷氧基、烯氧基、炔氧基和苯氧基团；W为氧或硫；R1为氢或烷基；E为CH或N；R2和R3分别选自各种卤素、烷基、烷氧基和氨基取代基。该发明的化合物显示出除草特性，特别用于控制小麦等禾本科作物中的阔叶植物。在进一步的实施方式中，该发明提供了用于制备化合物I的过程，用于制备化合物I的中间体，含有化合物I作为活性成分的组合物，以及利用化合物I的除草和植物生长调节过程。