9-甲氧基-2-甲基-3,11,12,14-四氢-6aH-吲哚并[4',5':5,6][1,3]恶嗪并[2,3-a]异喹啉-1-羧酸乙酯 | 23062-91-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 中文名称: 9-甲氧基-2-甲基-3,11,12,14-四氢-6aH-吲哚并[4',5':5,6][1,3]恶嗪并[2,3-a]异喹啉-1-羧酸乙酯
• 中文别名: 3,6a，11,14-四氢-9-甲氧基-2-甲基-(12H)-异喹啉[1,2-b]吡咯并[3,2-f][1,3]苯并恶嗪-1-羧酸，乙酯
• 英文名称: PD 102807
• 英文别名: 12H-Isoquino[1,2-b]pyrrolo[3,2-f][1,3]benzoxazine-1-carboxylic acid, 3,6a,11,14-tetrahydro-9-methoxy-2-methyl-, ethyl ester；ethyl 17-methoxy-6-methyl-12-oxa-1,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),5,9,14(19),15,17-heptaene-5-carboxylate
• CAS: 23062-91-1
• 化学式: C₂₃H₂₄N₂O₄
• 分子量: 392.455
• InChiKey: VDDUJINYXKGZLV-UHFFFAOYSA-N

物化性质

• 沸点：
  586.0±50.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)
• 溶解度：
  在 DMSO 中溶解度为 100 mM

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  9-甲氧基-2-甲基-3,11,12,14-四氢-6aH-吲哚并[4',5':5,6][1,3]恶嗪并[2,3-a]异喹啉-1-羧酸乙酯 、 碘甲烷 以 丙酮 为溶剂， 反应 16.0h， 以85%的产率得到1-(ethoxycarbonyl)-9-methoxy-2,13-dimethyl-3,6a,11,12,13,14-hexahydroindolo[4',5':5,6][1,3]oxazino[2,3-a]isoquinolin-13-ium iodide
  参考文献：
  名称：

  [EN] MUSCARINIC ACETYLCHOLINE RECEPTOR SUBTYPE 4 ANTAGONISTS IN THE TREATMENT OF ANEMIA
  [FR] ANTAGONISTES DU SOUS-TYPE 4 DU RÉCEPTEUR MUSCARINIQUE DE L'ACÉTYLCHOLINE DANS LE TRAITEMENT DE L'ANÉMIE

  摘要：

  这项披露通常涉及治疗贫血。更具体地，该披露涉及使用肌效胆碱受体亚型4拮抗剂，如小分子化合物，促进爆发形成单位红细胞(BFU-E)细胞的自我更新并治疗贫血。

  公开号：

  WO2020198054A1
• 作为产物：
  描述：

  N-(3-甲氧基苯乙基)甲酰胺 在 三氯氧磷 作用下， 以 1,4-二氧六环 、 1,2,3,4-四氢萘 为溶剂， 生成 9-甲氧基-2-甲基-3,11,12,14-四氢-6aH-吲哚并[4',5':5,6][1,3]恶嗪并[2,3-a]异喹啉-1-羧酸乙酯
  参考文献：
  名称：

  Identification and characterization of m4 selective muscarinic antagonists

  摘要：

  Our interest in the area of m4 muscarinic antagonists has led us to study a series of benzoxazine isoquinolines. One of the most potent and selective compounds of this series is example 1 with an IC50 value of 90.7nM at m4 receptors, and 72-fold (m1), 38-fold (m2), 10-fold (m3), and 82-fold (m5) more selective compared to the other receptors. The synthesis and receptor binding affinity of analogs of 1 are reported. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00351-5

文献信息

• Compositions and methods for enhancing odorant receptor activity
  申请人：Duke University

  公开号：US10072292B2

  公开（公告）日：2018-09-11

  The present invention relates to polypeptides capable of modulating odorant receptor activation. In particular, the present invention provides polypeptides (e.g., type 3 muscarinic actetylcholine receptor M3) capable of enhancing odorant receptor activation. The present invention further provides assays for the detection of ligands specific for various odorant receptors. Additionally, the present invention provides methods of screening for polypeptide polymorphisms and mutations associated with odorant receptor activation (e.g., polymorphisms and mutations associated with muscarinic actetylcholine receptor polypeptides (e.g., M1, M2, M3, M4, M5)), as well as methods of screening for therapeutic agents, ligands, and modulators of such proteins.

  本发明涉及能够调节气味受体活化的多肽。特别是，本发明提供了能够增强气味受体活化的多肽（如 3 型毒蕈碱动乙酰胆碱受体 M3）。本发明进一步提供了检测各种气味受体特异性配体的检测方法。此外，本发明还提供了筛选与气味受体激活相关的多肽多态性和突变的方法（例如，与毒蕈碱动乙酰胆碱受体多肽（例如，M1、M2、M3、M4、M5）相关的多态性和突变），以及筛选此类蛋白质的治疗剂、配体和调节剂的方法。
• Therapeutic compositions for diabetic symmetrical polyneuropathy
  申请人：Fernyhough Paul

  公开号：US10307428B2

  公开（公告）日：2019-06-04

  Compositions for therapy of a diabetic symmetrical polyneuropathy a subject in need thereof, the compositions comprising: an effective amount of a muscarinic acetylcholine receptor antagonist exemplified by pirenzepine, telenzepine, atropine, or derivatives thereof or salts thereof or analogs thereof or derivatives thereof, and a pharmacologically acceptable carrier. The composition may be injectable or alternatively, may be applied topically or alternatively, may be delivered orally. A suitable topical composition may comprise a lotion, a cream, a gel, or a viscous fluid. The muscarinic acetylcholine receptor antagonist may be a muscarinic acetylcholine receptor antagonist salt or a muscarinic acetylcholine receptor antagonist derivative or a muscarinic acetylcholine receptor antagonist analog.

  用于治疗糖尿病对称性多发性神经病变的组合物，该组合物包括：有效量的毒蕈碱乙酰胆碱受体拮抗剂，例如哌仑西平、替氮平、阿托品或其衍生物或其盐或其类似物或其衍生物，以及药理学上可接受的载体。该组合物可以注射，也可以局部使用，还可以口服。合适的局部组合物可包括乳液、膏霜、凝胶或粘稠液体。毒蕈碱乙酰胆碱受体拮抗剂可以是毒蕈碱乙酰胆碱受体拮抗剂盐或毒蕈碱乙酰胆碱受体拮抗剂衍生物或毒蕈碱乙酰胆碱受体拮抗剂类似物。
• THERAPEUTIC COMPOSITIONS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY
  申请人：Fernyhough Paul

  公开号：US20130267506A1

  公开（公告）日：2013-10-10

  Compositions for therapy of a diabetic symmetrical polyneuropathy a subject in need thereof, the compositions comprising: an effective amount of a muscarinic acetylcholine receptor antagonist exemplified by pirenzepine, telenzepine, atropine, or derivatives thereof or salts thereof or analogs thereof or derivatives thereof, and a pharmacologically acceptable carrier. The composition may be injectable or alternatively, may be applied topically or alternatively, may be delivered orally. A suitable topical composition may comprise a lotion, a cream, a gel, or a viscous fluid. The muscarinic acetylcholine receptor antagonist may be a muscarinic acetylcholine receptor antagonist salt or a muscarinic acetylcholine receptor antagonist derivative or a muscarinic acetylcholine receptor antagonist analog.
• COMPOSITIONS AND METHODS FOR ENHANCING ODORANT RECEPTOR ACTIVITY
  申请人：Duke University

  公开号：US20150376259A1

  公开（公告）日：2015-12-31

  The present invention relates to polypeptides capable of modulating odorant receptor activation. In particular, the present invention provides polypeptides (e.g., type 3 muscarinic actetylcholine receptor M3) capable of enhancing odorant receptor activation. The present invention further provides assays for the detection of ligands specific for various odorant receptors. Additionally, the present invention provides methods of screening for polypeptide polymorphisms and mutations associated with odorant receptor activation (e.g., polymorphisms and mutations associated with muscarinic actetylcholine receptor polypeptides (e.g., M1, M2, M3, M4, M5)), as well as methods of screening for therapeutic agents, ligands, and modulators of such proteins.
• TREATMENTS FOR DIABETIC SYMMETRICAL POLYNEUROPATHY
  申请人：University of Manitoba

  公开号：US20190046540A1

  公开（公告）日：2019-02-14

  Treatments for therapy of a diabetic symmetrical polyneuropathy a subject in need thereof. The treatments includes administration of compositions comprising: an effective amount of a muscarinic acetylcholine receptor antagonist exemplified by pirenzepine, telenzepine, atropine, or derivatives thereof or salts thereof or analogs thereof or derivatives thereof, and a pharmacologically acceptable carrier. The composition may be injectable or alternatively, may be applied topically or alternatively, may be delivered orally. A suitable topical composition may comprise a lotion, a cream, a gel, or a viscous fluid. The muscarinic acetylcholine receptor antagonist may be a muscarinic acetylcholine receptor antagonist salt or a muscarinic acetylcholine receptor antagonist derivative or a muscarinic acetylcholine receptor antagonist analog.