reboxetine mesylate | 98819-77-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: reboxetine mesylate
• 英文别名: (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine;methanesulfonic acid
• CAS: 98819-77-3
• 化学式: CH₄O₃S*C₁₉H₂₃NO₃
• 分子量: 409.503
• InChiKey: CGTZMJIMMUNLQD-HLRBRJAUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  103
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  reboxetine mesylate 在 sodium hydroxide 作用下， 以 二氯甲烷 、 水 为溶剂， 生成 恶泼西汀丁二酸盐; (2S)-2-[(S)-(2-乙氧基苯氧基)苯甲基]吗啉丁二酸盐
  参考文献：
  名称：

  Commercial Synthesis of (S,S)-Reboxetine Succinate: A Journey To Find the Cheapest Commercial Chemistry for Manufacture

  摘要：

  The development of a synthetic process for (S,S)-reboxetine succinate, a candidate for the treatment of fibromylagia, is disclosed from initial scale-up to deliver material for registrational stability testing through to commercial route evaluation and subsequent nomination. This entailed evaluation of several alternative routes to result in what would have been a commercially attractive process for launch of the compound.

  DOI：

  10.1021/op200181f
• 作为产物：
  描述：

  甲烷磺酸 、 泼西汀 以 乙醚 、 乙醇 为溶剂， 反应 48.0h， 生成 reboxetine mesylate
  参考文献：
  名称：

  Configurational studies on 2-[∝-(2-ethoxyphenoxy)benzyl] morpholine fce 20124

  摘要：

  DOI：

  10.1016/s0040-4020(01)96541-x

文献信息

• [EN] SUBSTITUTED PIPERIDINE COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ DE PIPÉRIDINE SUBSTITUÉE ET SON UTILISATION
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2017135306A1

  公开（公告）日：2017-08-10

  Provided is a substituted piperidine compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I): wherein each symbol is as described in the DESCRIPTION, or a salt thereof has an orexin type 2 receptor agonist activity, and is useful as a prophylactic or therapeutic agent for narcolepsy.

  提供的是一种替代哌啶化合物，具有促进俐克脑肽2型受体激动剂活性。公式（I）所代表的化合物：其中每个符号如描述中所述，或其盐具有促进俐克脑肽2型受体激动剂活性，并且可用作嗜睡症的预防或治疗药物。
• HETEROCYCLIC COMPOUND AND USE THEREOF
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US20210198240A1

  公开（公告）日：2021-07-01

  The present invention provides a heterocyclic compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I): wherein each symbol is as described in the specification, or a salt thereof has an orexin type 2 receptor agonist activity, and is useful as an agent for the prophylaxis or treatment of narcolepsy.

  本发明提供了一种具有orexin类型2受体激动剂活性的杂环化合物。 表示为公式(I)的化合物： 其中每个符号如说明书中所述，或其盐具有orexin类型2受体激动剂活性，并且可用作预防或治疗发作性嗜睡症的药剂。
• Heterocyclic Compound
  申请人：TAKEDA PHARMACEUTICAL COMPANY LIMITED

  公开号：US20180155333A1

  公开（公告）日：2018-06-07

  The present invention provide a compound having an orexin receptor antagonistic activity, which is expected to be useful as medicaments such as agents for the prophylaxis or treatment of sleep disorder, depression, anxiety disorder, panic disorder, schizophrenia, drug dependence, Alzheimer's disease and the like. The present invention relates to a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof.

  本发明提供了一种具有促醒素受体拮抗活性的化合物，预计可用作药物，如预防或治疗睡眠障碍、抑郁症、焦虑症、恐慌症、精神分裂症、药物依赖、阿尔茨海默病等的药剂。 本发明涉及由以下式（I）表示的化合物： 其中每个符号如规范中定义，或其盐。
• [EN] HETEROCYCLIC COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE ET SON UTILISATION
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2019027058A1

  公开（公告）日：2019-02-07

  The present invention provides a heterocyclic compound having an orexin type 2 receptor agonist activity. A compound represented by the formula (I) : wherein each symbol is as described in the specification, or a salt thereof, is useful as an agent for the prophylaxis treatment of narcolepsy.

  本发明提供了一种具有促进睡觉素2型受体激动剂活性的杂环化合物。公式（I）所代表的化合物：其中每个符号如规范中所述，或其盐，可用作预防治疗嗜睡症的药剂。
• AMINOTHIAZOLONES AS ESTROGEN RELATED RECEPTOR-ALPHA MODULATORS
  申请人：Bignan Gilles

  公开号：US20110200587A1

  公开（公告）日：2011-08-18

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎、动脉粥样硬化、关节炎（如类风湿关节炎、感染性关节炎、儿童关节炎、银屑病性关节炎、反应性关节炎）、与骨相关的疾病（包括与骨形成有关的疾病）、乳腺癌（包括对抗雌激素治疗无效的癌症）、心血管疾病、软骨相关疾病（如软骨损伤/丧失、软骨退化以及与软骨形成有关的疾病）、软骨发育不全、软骨肉瘤、慢性背部损伤、慢性支气管炎、慢性炎症性气道疾病、慢性阻塞性肺病、糖尿病、能量稳态紊乱、痛风、假性痛风、脂质紊乱、代谢综合征、多发性骨髓瘤、肥胖、骨关节炎、遗传性骨发育不全、骨溶解性骨转移、软骨软化症、骨质疏松症、帕金森病、牙周病、多肌痛风、Reiter综合征、重复性应激损伤、高血糖、血糖水平升高和胰岛素抵抗等疾病的方法。