8-[5-(3-Dimethylaminopropyl)-tricyclo[2.2.1.02,6]hept-3-yl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione | 340163-11-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 8-[5-(3-Dimethylaminopropyl)-tricyclo[2.2.1.02,6]hept-3-yl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
• 英文别名: 8-[5-(3-Dimethylamino-propyl)-tricyclo[2.2.1.02,6]hept-3-yl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione；8-[5-[3-(dimethylamino)propyl]-3-tricyclo[2.2.1.02,6]heptanyl]-1,3-dipropyl-7H-purine-2,6-dione
• CAS: 340163-11-3
• 化学式: C₂₃H₃₅N₅O₂
• 分子量: 413.563
• InChiKey: VCMZQQYBDCVLGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  30
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  72.5
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  8-[5-[3-(dimethylamino)propylidene]-3-tricyclo[2.2.1.02,6]heptanyl]-1,3-dipropyl-7H-purine-2,6-dione;2,2,2-trifluoroacetic acid 在 铂 Crude product 作用下， 以 乙醇 、 盐酸 为溶剂， 反应 16.0h， 生成 8-[5-(3-Dimethylaminopropyl)-tricyclo[2.2.1.02,6]hept-3-yl]-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
  参考文献：
  名称：

  Adenosine receptor antagonists and methods of making and using the same

  摘要：

  本发明基于发现，公式I化合物是意外地高效和选择性的腺苷A1受体抑制剂。腺苷A1拮抗剂可用于预防和/或治疗许多疾病，包括心脏和循环系统疾病、中枢神经系统退行性疾病、呼吸系统疾病和许多适合利尿治疗的疾病。在其中一种实施例中，本发明涉及公式I的化合物：其中R3是可选取自以下的取代基团：其中X1，X2，Z，R1，R2和R6如说明书所述。

  公开号：

  US06605600B1

文献信息

• [EN] DIVERSIFICATION OF HUMAN MILK OLIGOSACCHARIDES (HMOs) OR PRECURSORS THEREOF<br/>[FR] DIVERSIFICATION D'OLIGOSACCHARIDES DU LAIT HUMAIN (HMO) OU DE LEURS PRÉCURSEURS
  申请人：GLYCOM AS

  公开号：WO2012156898A1

  公开（公告）日：2012-11-22

  A method of diversification of human milk oligosaccharides (HMOs) or precursors thereof, compounds obtainable by the method, and uses and compositions involving such compounds. The method comprises the steps of a) providing at least one compound or a mixture of the compounds selected from the group consisting of: optionally sialylated and/or fucosylated lactose derivatives of general formula 2 and salts thereof: (2) wherein R is a group removable by hydrogenolysis, R1 independently of each other is fucosyl or H, R4 independently of each other is sialyl or H, provided that the compound of general formula 2 is not R-glycoside of lactose, if provided alone; optionally sialylated and/or fucosylated lactose derivatives of general formula 4 and salts thereof: (4) wherein R1 independently of each other is fucosyl or H, R4 independently of each other is sialyl or H, provided that the compound of general formula 4 is not lactose, if provided alone; lacto-N-tetraose (LNT): (I) lacto-N-tetraose (LNT) derivatives of the following formula: (II) wherein R is a group removable by hydrogenolysis; lacto-N-neotetraose (LNnT): (III) lacto-N-neotetraose (LNnT) derivatives of the following formula: (IV) wherein R is a group removable by hydrogenolysis; b) adding at least one enzyme comprising a transglycosidase activity to the at least one compound or a mixture of compounds provided according to step a); and c) incubating the mixture obtained according to step b).

  一种多样化人类乳寡糖（HMOs）或其前体的方法，通过该方法获得的化合物以及涉及此类化合物的用途和组合物。该方法包括以下步骤：a）提供至少一种化合物或化合物混合物，所述化合物或混合物从以下组中选择：通式2的可选唾液酸化和/或岩藻糖化的乳糖衍生物及其盐：（2）其中R是可通过氢解去除的基团，R1独立地为岩藻糖基或H，R4独立地为唾液酸基或H，如果单独提供通式2的化合物，则不是乳糖的R-糖苷；通式4的可选唾液酸化和/或岩藻糖化的乳糖衍生物及其盐：（4）其中R1独立地为岩藻糖基或H，R4独立地为唾液酸基或H，如果单独提供通式4的化合物，则不是乳糖；乳糖N-四糖（LNT）：（I）以下式的乳糖N-四糖（LNT）衍生物：（II）其中R是可通过氢解去除的基团；乳糖N-新四糖（LNNT）：（III）以下式的乳糖N-新四糖（LNNT）衍生物：（IV）其中R是可通过氢解去除的基团；b）向根据步骤a）提供的至少一种化合物或化合物混合物中添加至少一种具有转移糖基酶活性的酶；以及c）孵育根据步骤b）获得的混合物。
• [EN] NOVEL SERTRALINE HYDROCHLORIDE POLYMORPHS, PROCESSES FOR PREPARING THEM, COMPOSITIONS CONTAINING THEM AND METHODS OF USING THEM<br/>[FR] NOUVEAUX POLYMORPHES DE CHLORHYDRATE DE SERTRALINE, PROCEDES DE PREPARATION CORRESPONDANTS, COMPOSITIONS CONTENANT LESDITS POLYMORPHES ET METHODES D'UTILISATION CORRESPONDANTES
  申请人：TEVA PHARMA

  公开号：WO2001045692A1

  公开（公告）日：2001-06-28

  The present invention is directed to novel polymorphic Forms XI, XII, XIII, XIV, XV and XVI of sertraline hydrochloride, to processes for preparing them, methods of using them to treat disease, methods of using them to make other sertraline hydrochloride forms, and to pharmaceutical dosages containing the novel forms.

  本发明涉及丝氨酸盐酸盐的新型多晶型XI、XII、XIII、XIV、XV和XVI，以及制备它们的方法，利用它们治疗疾病的方法，利用它们制备其他丝氨酸盐酸盐形式的方法，以及含有新型多晶型的制药剂量。
• [EN] SERTRALINE HYDROCHLORIDE POLYMORPHS<br/>[FR] POLYMORPHES DE CHLORHYDRATE DE SERTRALINE
  申请人：TEVA PHARMA

  公开号：WO2000032551A1

  公开（公告）日：2000-06-08

  The present invention is directed to forms II, III, V, VI, VII, VIII, IX and X of sertraline hydrochloride and novel methods for their preparation. According to the present invention, sertraline hydrochloride polymorph II may be produced by slurrying sertraline hydrochloride polymorph VI in aprotic organic solvent. Sertraline hydrochloride polymorphic form III may be produced by heating sertraline hydrochloride polymorphs V and VI. Sertraline hydrochloride forms V and VI may be produced from either sertraline hydrochloride or sertraline base by crystallization. Sertraline hydrochloride Form VII may be produced by suspending sertraline chloride polymorph V in water, followed by filtration. Sertraline hydrochloride Forms VIII and IX may be produced by suspending sertraline base in water followed by acidification and filtration. Sertraline hydrochloride Form X and be produced by suspending sertraline hydrochloride in benzyl alcohol with heating, followed by filtration.

  本发明涉及盐酸舍曲林的II、III、V、VI、VII、VIII、IX和X形态，以及它们的新制备方法。根据本发明，可以通过在无极性有机溶剂中搅拌盐酸舍曲林的VI形态来制备盐酸舍曲林的多晶II形态。可以通过加热盐酸舍曲林的V和VI形态来制备盐酸舍曲林的III形态。盐酸舍曲林的V和VI形态可以通过从盐酸舍曲林或舍曲林碱晶体中结晶得到。可以通过在水中悬浮盐酸舍曲林的V形态，然后过滤来制备盐酸舍曲林的VII形态。可以通过在水中悬浮舍曲林碱，然后酸化和过滤来制备盐酸舍曲林的VIII和IX形态。可以通过在苯甲醇中加热悬浮盐酸舍曲林，然后过滤来制备盐酸舍曲林的X形态。
• Sertraline hydrochloride polymorphs
  申请人：——

  公开号：US20040220280A1

  公开（公告）日：2004-11-04

  The present invention is directed to forms II, III, V, VI, VII, VIII, IX and X of sertraline hydrochloride and novel methods for their preparation. According to the present invention, sertraline hydrochloride polymorph II may be produced by slurrying sertraline hydrochloride polymorph VI in aprotic organic solvent. Sertraline hydrochloride polymorphic form III may be produced by heating sertraline hydrochloride polymorphs V and VI. Sertraline hydrochloride forms V and VI may be produced from either sertraline hydrochloride or sertraline base by crystallization. Sertraline hydrochloride Form VII may be produced by suspending sertraline chloride polymorph V in water, followed by filtration. Sertraline hydrochloride Forms VIII and IX may be produced by suspending sertraline base in water followed by acidification and filtration. Sertraline hydrochloride Form X may be produced by suspending sertraline hydrochloride in benzyl alcohol with heating, followed by filtration.

  本发明涉及盐酸舍曲林的II、III、V、VI、VII、VIII、IX和X形态，以及其制备的新方法。根据本发明，可以通过在无极性有机溶剂中悬浮盐酸舍曲林的VI形态来制备盐酸舍曲林的II多晶形态。可以通过加热盐酸舍曲林的V和VI多晶形态来制备盐酸舍曲林的III多晶形态。盐酸舍曲林的V和VI形态可以通过从盐酸舍曲林或舍曲林碱晶体中结晶得到。可以通过在水中悬浮盐酸舍曲林的V多晶形态，然后过滤来制备盐酸舍曲林的VII多晶形态。可以通过在水中悬浮舍曲林碱，然后酸化和过滤来制备盐酸舍曲林的VIII和IX多晶形态。可以通过在苯甲醇中加热悬浮盐酸舍曲林，然后过滤来制备盐酸舍曲林的X多晶形态。
• ADENOSINE RECEPTOR ANTAGONISTS AND METHODS OF MAKING AND USING THE SAME
  申请人：Ensinger L. Carol

  公开号：US20080004293A1

  公开（公告）日：2008-01-03

  The invention is based on the discovery that compounds of Formula I are unexpectedly highly potent and selective inhibitors of the adenosine A 1 receptor. Adenosine A 1 antagonists can be useful in the prevention and/or treatment of numerous diseases, including cardiac and circulatory disorders, degenerative disorders of the central nervous system, respiratory disorders, and many diseases for which diuretic treatment is suitable. In one embodiment, the invention features a compound of formula I:

  本发明基于发现，公式I化合物是意外地高效和选择性地抑制腺苷A1受体的抑制剂。腺苷A1拮抗剂可以在预防和/或治疗许多疾病方面有用，包括心脏和循环系统疾病、中枢神经系统退行性疾病、呼吸系统疾病以及适用于利尿治疗的许多疾病。在一种实施例中，本发明涉及公式I的化合物：