9-甲基-7-氧杂-9-氮杂双环[3.3.1]壬烷-3-酮 | 7224-81-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 9-甲基-7-氧杂-9-氮杂双环[3.3.1]壬烷-3-酮
• 中文别名: 9-甲基-3-噁-9-氮杂双环[3.3.1]-7-壬酮
• 英文名称: 9-methyl-3-oxa-9-aza-bicyclo[3.3.1]nonan-7-one
• 英文别名: 9-Methyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one
• CAS: 7224-81-9
• 化学式: C₈H₁₃NO₂
• 分子量: 155.197
• InChiKey: KQXCBNBNYPNNLY-UHFFFAOYSA-N

物化性质

• 熔点：
  79-80 °C(Solv: ethyl ether (60-29-7))
• 沸点：
  261.7±40.0 °C(Predicted)
• 密度：
  1.114±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  9-甲基-7-氧杂-9-氮杂双环[3.3.1]壬烷-3-酮 在 氢氧化钾 、 sodium hydroxide 、 potassium permanganate 、 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 9-benzoyl-3-oxa-9-aza-bicyclo[3.3.1]nonan-7exo-ol
  参考文献：
  名称：

  The Isomeric 3-Oxa- and 3-Thiagranatanin-7-ols and Their Derivatives; Reduction of Bicyclic Amino Ketones Related to Tropinone^1,2

  摘要：

  DOI：

  10.1021/jo01061a032
• 作为产物：
  描述：

  5-氧杂-壬-2,7-二烯二酸 在 盐酸 、 乙醇 、 对二甲苯 、 sodium 作用下， 生成 9-甲基-7-氧杂-9-氮杂双环[3.3.1]壬烷-3-酮
  参考文献：
  名称：

  Jerchel; Weidmann, Justus Liebigs Annalen der Chemie, 1957, vol. 607, p. 126,130

  摘要：

  DOI：

文献信息

• [EN] PROGRANULIN MODULATORS AND METHODS OF USING THE SAME<br/>[FR] MODULATEURS DE LA PROGRANULINE ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ARKUDA THERAPEUTICS

  公开号：WO2020252222A1

  公开（公告）日：2020-12-17

  Provided herein are compounds that modulate progranulin and methods of using the compounds in progranulin-associated disorders, such as Frontotemporal dementia (FTD).

  本文件提供了调节颗粒蛋白的化合物及其在颗粒蛋白相关疾病中的使用方法，例如额颞痴呆（FTD）。
• [EN] DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS<br/>[FR] DERIVES DE DIAZABICYCLONONENE ET DE TETRAHYDROPYRIDINE UTILISES COMME INHIBITEURS DE LA RENINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2005040173A1

  公开（公告）日：2005-05-06

  The invention relates to novel bicyclic derivatives and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of renin.

  本发明涉及新型的双环衍生物及相关化合物，以及它们作为活性成分在制备药物组合物中的应用。本发明还涉及相关方面，包括制备这些化合物的方法、含有一种或多种这些化合物的药物组合物，尤其是它们作为肾素抑制剂的应用。
• [EN] TETRAAZA-CYCLOPENTA[A]INDENYL AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS<br/>[FR] TÉTRAAZA-CYCLOPENTA[A]INDÉNYLE ET LEUR UTILISATION EN TANT QUE MODULATEURS ALLOSTÉRIQUES POSITIFS
  申请人：MERCK PATENT GMBH

  公开号：WO2013091773A1

  公开（公告）日：2013-06-27

  The present invention provides compounds of Formula (I) as M1 receptor positive allosteric modulators for the treatment of diseases mediated by the muscarinic M1 mediator.

  本发明提供了式(I)化合物，作为M1受体阳性异构调节剂，用于治疗由毒蕈碱M1介质介导的疾病。
• Phthalazine derivatives and remedies for erectile dysfunction
  申请人：Eisai Co., Ltd.

  公开号：US06498159B1

  公开（公告）日：2002-12-24

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: wherein R1 and R2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8-membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; l is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R1 is a chlorine atom, R2 is a methoxy group and Y is a 5- or 6-membered amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种邻苯二氮杂环化合物，作为下式所代表的勃起功能障碍的治疗剂，其药理学上可接受的盐或水合物： 其中R1和R2相同或不同，分别代表卤素原子、可能被卤素原子取代的C1到C4烷基、可能被卤素原子取代的C1到C4烷氧基或氰基；X代表氰基、硝基、卤素原子、可能被取代的羟基亚胺基团或可能被取代的杂芳基团；Y代表杂芳基团、可能被取代的芳基团、可能被取代的炔基团、烯基团、烷基团、可选择地取代的饱和或不饱和的4-至8-成员氨基环，且环状胺化合物是单环化合物、双环化合物或螺环化合物；l为1到3的整数；但在l为1或2的情况下，X为氰基、硝基或氯原子，R1为氯原子，R2为甲氧基团，Y为取代羟基的5-或6-成员氨基环的情况除外。
• 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。