KR-60436 | 220853-65-6

• 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: KR-60436
• 英文别名: 1-(2-methyl-4-methoxyphenyl)-4-[(2-hydroxyethyl)amino]-6-trifluoromethoxy-2,3-dihydropyrrolo[3,2-c]quinoline；1-(2-Methyl-4-methoxyphenyl)-4-((2-hydroxyethyl)amino)-6-trifluoromethoxy-2,3-dihydropyrrolo(3,2-c)quinoline；2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-yl]amino]ethanol
• CAS: 220853-65-6
• 化学式: C₂₂H₂₂F₃N₃O₃
• 分子量: 433.43
• InChiKey: ZFDXQUVDLKGYIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  9

ADMET

代谢

KR-60436已知的人类代谢物包括1-(4-甲氧基-2-甲基苯基)-6-(三氟甲氧基)-2,3-二氢吡咯[3,2-c]喹啉-4-胺，O-去甲基-KR-60436，以及2-[[1-(4-甲氧基-2-甲基苯基)-6-(三氟甲氧基)吡咯[3,2-c]喹啉-4-基]氨基]乙醇。

Kr-60436 has known human metabolites that include 1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)-2,3-dihydropyrrolo[3,2-c]quinolin-4-amine, O-demethyl-KR-60436, and 2-[[1-(4-methoxy-2-methylphenyl)-6-(trifluoromethoxy)pyrrolo[3,2-c]quinolin-4-yl]amino]ethanol.

来源:NORMAN Suspect List Exchange

反应信息

• 作为产物：
  描述：

  1-(2-methyl-4-methoxyphenyl)-4-chloro-6-trifluoromethoxy-2,3-dihydropyrrolo[3,2-c]quinoline 在 二氯甲烷 、 水 、 magnesium sulfate 、 silica gel 作用下， 以 C.I.酸性橙108 为溶剂， 反应 3.0h， 以to obtain 510 mg of desired compound as solid in 91%的产率得到KR-60436
  参考文献：
  名称：

  Pyrrolo [3,2-c] quinoline derivatives containing haloalkoxy group and

  摘要：

  本发明涉及一种新的含有卤代烷氧基的吡咯并[3,2-c]喹啉衍生物，其化学式为I，其药学上可接受的盐；其制备方法；以及用于治疗胃溃疡的药物组成物。 在式中，R₁是C₁-C₆的卤代烷氧基，包括三氟甲氧基、二氟甲氧基和三氟乙氧基。R₂和R₃相同或不同，分别是氢、卤素、羟基、苄氧基、C₁-C₆的烷基、C₁-C₆的烷氧基。A是--CH₂--CH₂--或--CH=CH--，R₄是氢、卤素、氨基、C₁-C₆的烷基氨基，以及NH(CH₂)nOH，其中n为1-6。 具有卤代烷氧基的吡咯并[3,2-c]喹啉衍生物及其药学上可接受的盐，可逆地抑制哺乳动物的胃酸分泌，可用于治疗胃溃疡。

  公开号：

  US06011044A1

文献信息

• Pyrrolo [3,2-c] quinoline derivatives containing haloalkoxy group and
  申请人：Korea Research Institute of Chemical Technology

  公开号：US06011044A1

  公开（公告）日：2000-01-04

  The present invention relates to a novel pyrrolo[3,2-c]quinoline derivatives containing haloalkoxy group, represented by Formula I, their pharmaceutically acceptable salts; process for preparation thereof; and pharmaceutical composition thereof for treating gastric ulcer. ##STR1## in which R.sub.1 is haloalkoxy group of C.sub.1 -C.sub.6 including trifluoromethoxy, difluoromethoxy and trifluoroethoxy group. R.sub.2 and R.sub.3, which are the same or different, are each hydrogen, halogen, hydroxy, benzyloxy, alkyl group of C.sub.1 -C.sub.6, alkoxy group of C.sub.1 -C.sub.6. A is --CH.sub.2 --CH.sub.2 -- or --CH.dbd.CH--, and R.sub.4 is hydrogen, halogen, amino, alkylamino group of C.sub.1 -C.sub.6, and NH(CH.sub.2).sub.n OH in which n is 1-6. Pyrrolo[3,2-c]quinoline derivatives having haloalkoxy group, and their pharmaceutically acceptable salts, which reversibly inhibit gastric acid secretion of mammal, are usefully utilized for gastric ulcer therapeutics.

  本发明涉及一种含有卤代烷氧基团的新型吡咯并[3,2-c]喹啉衍生物，其由式I表示，其药学上可接受的盐；其制备方法；以及用于治疗胃溃疡的药物组合物。其中，R.sub.1是包括三氟甲氧基、二氟甲氧基和三氟乙氧基等C.sub.1-C.sub.6的卤代烷氧基团。R.sub.2和R.sub.3，相同或不同，分别是氢、卤素、羟基、苄氧基、C.sub.1-C.sub.6的烷基、C.sub.1-C.sub.6的烷氧基。A是--CH.sub.2--CH.sub.2--或--CH.dbd.CH--，而R.sub.4是氢、卤素、氨基、C.sub.1-C.sub.6的烷基氨基团，以及NH(CH.sub.2).sub.n OH，其中n为1-6。具有卤代烷氧基团的吡咯并[3,2-c]喹啉衍生物及其药学上可接受的盐，可逆地抑制哺乳动物的胃酸分泌，可用于胃溃疡治疗。
• Pharmaceutical preparation comprising an active dispersed on a matrix
  申请人：——

  公开号：US20040058896A1

  公开（公告）日：2004-03-25

  The present invention relates to the field of pharmaceutical technology and describes a novel advantageous preparation for an active ingredient. The novel preparation is suitable for producing a large number of pharmaceutical dosage forms. In the new preparation an active ingredient is present essentially uniformly dispersed in an excipient matrix composed of one or more excipients selected from the group of fatty alcohol, triglyceride, partial glyceride and fatty acid ester.

  本发明涉及制药技术领域，描述了一种新的有利的活性成分制备方法。这种新的制备方法适用于生产大量的药物剂型。在这种新的制备方法中，活性成分基本上均匀地分散在由脂肪醇、甘油三酯、部分甘油酯和脂肪酸酯等多种赋形剂中选择的一种或多种赋形剂组成的赋形剂基质中。
• FMO3 inhibitors for treating pain
  申请人：Akron Molecules GmbH

  公开号：EP2674161A1

  公开（公告）日：2013-12-18

  The present invention relates to new therapies to treat pain and related diseases, as well as pharmaceutical compounds for use in said therapies.

  本发明涉及治疗疼痛和相关疾病的新疗法，以及用于上述疗法的药物化合物。
• Compositions useful for treating gastrointestinal motility disorders
  申请人：Landau B. Steven

  公开号：US20050059704A1

  公开（公告）日：2005-03-17

  The present invention relates to method of treating a gastrointestinal motility disorder in a subject in need of treatment comprising coadministering to said subject a first amount of a compound having 5-HT 3 receptor agonist activity or a pharmaceutically acceptable salt, hydrate or solvate thereof; and a second amount of at least one gastric acid suppressing agent (e.g., a proton pump inhibitor, an H 2 receptor antagonist or a pharmaceutically acceptable salt, hydrate or solvate thereof; or an acid pump antagonist or pharmaceutically acceptable salt, hydrate or solvate thereof) wherein the first and second amounts together comprise a therapeutically effective amount. In particular, the method is for treating GERD, including nocturnal GERD. The invention further relates to a method of treating nocturnal GERD comprising administering to a subject in need thereof a therapeutically effective amount of a compound having 5-HT 3 receptor agonist activity or a pharmaceutically acceptable salt, hydrate or solvate thereof. The invention further relates to a method of increasing esophageal motility in a subject in need thereof. The method of increasing esophageal motility can be achieved by administration of a compound having 5-HT 3 receptor agonist activity or a pharmaceutically acceptable salt, hydrate or solvate thereof. The coadministration can also be used to increase esophageal motility.

  本发明涉及治疗需要治疗的受试者胃肠道运动紊乱的方法，包括向所述受试者联合施用第一种量的具有 5-HT 3 受体激动剂活性的化合物或其药学上可接受的盐、水合物或溶液；以及第二种量的至少一种胃酸抑制剂（如质子泵抑制剂、H 2 受体拮抗剂或其药学上可接受的盐、水合物或溶液；或酸泵拮抗剂或其药学上可接受的盐、水合物或溶液），其中第一和第二量共同构成治疗有效量。特别是，该方法用于治疗胃食管反流病，包括夜间胃食管反流病。本发明进一步涉及一种治疗夜间胃食管反流病的方法，该方法包括向有需要的受试者施用治疗有效量的具有 5-HT 3 受体激动剂活性的化合物或其药学上可接受的盐、水合物或溶液。本发明进一步涉及一种增加需要者食管蠕动的方法。增加食管蠕动的方法可通过给予具有 5-HT 3 受体激动剂活性的化合物或其药学上可接受的盐、水合物或溶液。联合给药也可用于增加食管运动。
• Compositions useful for increasing lower esophageal sphincter pressure
  申请人：Landau B. Steven

  公开号：US20060189648A1

  公开（公告）日：2006-08-24

  The present invention relates to a method of increasing the pressure of the lower esophageal sphincter in a subject in need thereof comprising administering to said subject a specified amount of a compound having 5-HT 3 receptor agonist activity or a pharmaceutically acceptable salt, hydrate or solvate thereof. The subject in need of treatment is suffering from GERD, including nocturnal GERD.

  本发明涉及一种增加有需要的受试者食管下括约肌压力的方法，包括向所述受试者施用指定量的具有 5-HT 3 受体激动剂活性的化合物或其药学上可接受的盐、水合物或溶液。需要治疗的受试者患有胃食管反流病，包括夜间胃食管反流病。