1,1-diethyl-3-(9,10-didehydro-6-methyl-80α-ergolinyl)urea

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 1,1-diethyl-3-(9,10-didehydro-6-methyl-80α-ergolinyl)urea
• 英文别名: 3-(9,10-didehydro-6-methyl-8α-ergolinyl)-1,1-diethylurea；3-[(6aR)-7-methyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-4-yl]-1,1-diethylurea
• 化学式: C₂₀H₂₆N₄O
• 分子量: 338.453
• InChiKey: WUODHIZYLLECEK-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  40.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,1-diethyl-3-(9,10-didehydro-6-methyl-80α-ergolinyl)urea 在 sodium borohydrid 、 氨 作用下， 以 三氟乙酸 为溶剂， 生成 3-(9,10-didehydro-2,3-dihydro-6-methyl-8α-ergolinyl)-1,1-diethylurea
  参考文献：
  名称：

  Optionally 11- to 13-substituted ergoline compounds useful as medicinal

  摘要：

  式为 ##STR1## 的替代麦角酸衍生物及其酸加成盐，其中8位的尿素侧链可以是d.alpha.-或.beta.-构型，C.sub.2 C.sub.3和C.sub.9 C.sub.10是CC单键或C.dbd.C双键，R是氢或NR'R"，其中R'R"是O.sub.2、H.sub.2、C.sub.1-4-双烷基或共同形成3-9成员环，或者R'和R"分别是氢、C.sub.1-4-烷基或C.sub.1-10-酰基，R.sup.1是氢、C.sub.1-4-烷基、C.sub.1-10-酰基、C.sub.6-8-芳基或C.sub.1-4-烷基磺酰基，R.sup.2是氢或卤素，如果C.sub.2 C.sub.3是C.dbd.C双键，或者氢，如果C.sub.2 C.sub.3是CC单键，R.sup.6是C.sub.1-4-烷基，对中枢神经系统有显著影响，例如作为抗抑郁剂、神经类药物或降压药物。

  公开号：

  US04766128A1

文献信息

• (2-Haloergolinyl)-N'-N'-diethylurea compounds useful as medicinal agents
  申请人：Schering Aktiengesellschaft

  公开号：US04853390A1

  公开（公告）日：1989-08-01

  (2-Haloergolinyl)-N',N'-diethylurea derivatives of Formula I ##STR1## and the salts thereof, wherein R is hydrogen, alkyl of up to 6 carbon atoms, or alkenyl of up to 3 carbon atoms, X is halogen, ##STR2## is a CC single or CC double bond, and the urea residue in the 8-position can be in the .alpha.- or .beta.-configuration, have neuropsychotropic properties. As a result, they are excellently suitable for treatment of psychotic disturbances and emesis.

  式I的(2-哈洛尔戈林基)-N',N'-二乙基脲衍生物及其盐，其中R为氢、至多6个碳原子的烷基或至多3个碳原子的烯基，X为卤素，##STR2##表示单键或双键的碳碳键，且8位上的脲残基可以是α-或β-构型，具有神经精神药理特性。因此，它们非常适合用于治疗精神障碍和呕吐。
• Process for the preparation of 2-bromo-8-ergolinyl compounds
  申请人：Schering Aktiengesellschaft

  公开号：US04970314A1

  公开（公告）日：1990-11-13

  2-bromo-8-ergolinyl compounds of the formula ##STR1## wherein R.sup.8 is NH.sub.2, NH--CONEt.sub.2, CONH.sub.2, ##STR2## and ##STR3## wherein R.sup.1 =C.sub.1-4 -alkyl and R.sup.2 =C.sub.1-4 -alkyl and benzyl, R.sup.9 and R.sup.10 each mean hydrogen or, together, a bond, and the substituent R.sup.8 can be in the .alpha.- or .beta.- position, and their acid addition salts, can be prepared from corresponding 8-ergolinyl compounds and their acid addition salts by bromination with elemental bromine in the presence of hydrogen bromide in a halogenated hydrocarbon.

  该公式为##STR1##的2-溴-8-麦角碱化合物，其中R.sup.8为NH.sub.2、NH--CONEt.sub.2、CONH.sub.2、##STR2##和##STR3##，其中R.sup.1=C.sub.1-4-烷基，R.sup.2=C.sub.1-4-烷基和苄基，R.sup.9和R.sup.10分别表示氢原子或者一起表示一个键，取代基R.sup.8可以在α-或β-位置，其酸加成盐可以通过在卤代烃中加入溴素和氢溴酸的情况下，从相应的8-麦角碱化合物及其酸加成盐制备而成。
• Process for the preparation of ergoline derivatives
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0074921A1

  公开（公告）日：1983-03-23

  A process for preparing an ergoline of the formula wherein Cs = C10 is a CC single or double bond, R' is a hydrogen or CONR2, R being hydrogen, methyl, or ethyl, and wherein NR' is in the a- or β-position, R2 is lower alkyl of up to 3 carbon atoms, and the salts thereof, comprises treating the corresponding ergolinyl carboxylic acid amide with lead (IV) acetate in an aprotic polar solvent; reacting the intermediarily formed corresponding isocyanate with water or with a reactive amine of up to 4 carbon atoms, (e.g. a mono- or dialkylamine of up to 4-C atoms); and, optionally, treating the resultant product with an acid to form the corresponding salt.

  一种制备式中Cs＝C10为CC单键或双键，R'为氢或CONR2，R为氢、甲基或乙基，其中NR'位于a位或β位，R2为不超过3个碳原子的低级烷基的麦角啉及其盐的工艺，包括在非沸腾极性溶剂中用乙酸铅（IV）处理相应的麦角啉基羧酸酰胺；将中间形成的相应异氰酸酯与水或不超过4个碳原子的活性胺（例如不超过4-C原子的单烷基胺或二烷基胺）反应；以及任选地，用酸处理所得产物以形成相应的盐。
• Active substance-containing multi-layer film of hydrophilic polymers crosslinked in situ
  申请人：——

  公开号：US20020142036A1

  公开（公告）日：2002-10-03

  A multi-layered film which contains an active substance and which is made of film-forming polymers. The film comprises at least one covering layer, at least one layer containing the active substance, and an adhesive layer. A method and apparatus for producing such a multi-layered film and a preferred use as a transmucosal galenic formulation are also disclosed.

  一种含有活性物质的多层薄膜，由成膜聚合物制成。薄膜包括至少一层覆盖层、至少一层含有活性物质的层和一层粘合层。此外，还公开了生产这种多层薄膜的方法和设备，以及作为经粘膜 galenic 制剂的优选用途。
• Combination of a transdermal therapeutic system and an oral and/or parenteral preparation containing dopamine agonists for the treatment of dopaminergic disease states
  申请人：——

  公开号：US20040092544A1

  公开（公告）日：2004-05-13

  The invention relates to the use of a dopamine agonist in the form of an agent consisting of at least two spatially discrete compositions, of which one is a transdermal therapeutic system (TTS) containing the dopaminergic agent and another one or more are preparations for oral and/or parenteral application containing that same dopaminergic agent for the treatment of dopaminergically treatable diseases with the following elements: a) the TTS is continuously applied, b) within the duration of application in a) the composition for oral or parenteral dosage is administered.

  本发明涉及多巴胺受体激动剂的使用，该受体激动剂由至少两种在空间上不连续的组合物组成，其中一种是含有多巴胺受体激动剂的透皮治疗系统（TTS），另一种或多种是含有相同多巴胺受体激动剂的口服和/或肠道外用药制剂，用于治疗多巴胺可治疗疾病，这些组合物具有以下要素：a) 连续使用透皮治疗系统；b) 在使用透皮治疗系统的持续时间内使用口服或肠道外用药组合物。