甲硫替平马来酸盐 | 19728-88-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 甲硫替平马来酸盐
• 英文名称: methiothepin hydrogen maleate
• 英文别名: Methiothepin maleate；metitepine maleate；(Z)-but-2-enedioic acid;1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
• CAS: 19728-88-2
• 化学式: C₄H₄O₄*C₂₀H₂₄N₂S₂
• 分子量: 472.629
• InChiKey: IWDBEHWZGDSFHR-BTJKTKAUSA-N

物化性质

• 熔点：
  171-173°
• 溶解度：
  在 DMSO 中溶解度为 100 mM
• 碰撞截面：
  184.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

计算性质

• 辛醇/水分配系数(LogP)：
  4.12
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  132
• 氢给体数：
  2
• 氢受体数：
  8

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

文献信息

• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• Neuroprotective agents
  申请人：——

  公开号：US20040063612A1

  公开（公告）日：2004-04-01

  The present invention relates to methods of treating neurodegenerative diseases with the neuroprotective agents of Formulas I-IV and XII and the other compounds described herein. The neuroprotective agents inhibit nitric oxide synthase enzymes and in particular nitric oxide synthase III (NOS III) and can be used to treat Alzheimer's disease.

  本发明涉及使用公式I-IV和XII以及本文中描述的其他化合物的神经保护剂治疗神经退行性疾病的方法。这些神经保护剂抑制一氧化氮合酶酶和特别是一氧化氮合酶III（NOS III），可用于治疗阿尔茨海默病。
• Nortriptyline, haloperidol or prochlorperazine edisylate for use in the treatment of tuberculosis as well as two screening methods
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2767275A1

  公开（公告）日：2014-08-20

  The present invention relates to a compound capable of killing mycobacteria by activating host cellular mechanisms for use in treating tuberculosis, wherein the compound is selected from the group consisting of nortriptyline, haloperidol and prochlorperazine edisylate (PE). Furthermore, the present invention relates to a pharmaceutical composition comprising the compound of the invention, and optionally a pharmaceutically acceptable carrier. The invention further relates to a method of treating tuberculosis as well as a method of identifying a lead compound for the treatment of tuberculosis.

  本发明涉及一种能够通过激活宿主细胞机制杀死分枝杆菌的化合物，用于治疗结核病，其中该化合物选自由去甲替林、氟哌啶醇和丙氯哒嗪水杨酸盐（PE）组成的组。此外，本发明还涉及一种药物组合物，该组合物包含本发明的化合物和可选的药学上可接受的载体。本发明还涉及一种治疗结核病的方法以及一种确定治疗结核病先导化合物的方法。
• AGENT FOR PREVENTING AND/OR TREATING ALZHEIMER'S DISEASE
  申请人：Kyoto University

  公开号：EP3398614A1

  公开（公告）日：2018-11-07

  The present invention provides a prophylactic or therapeutic agent for Alzheimer's disease (AD) containing a combination of two or more compounds selected from the group consisting of compounds shown by compound Nos. 1 to 130. Since these compounds are existing drugs that have already been confirmed actually for safety and pharmacokinetics in human, they can be a means for a pre-emptive treatment of people at risk of AD and in a stage before developing mild cognitive impairment (MCI).

  本发明提供了一种阿尔茨海默病（AD）的预防或治疗药物，该药物含有两种或两种以上选自化合物编号 1 至 130 所示化合物组成的化合物组的组合。由于这些化合物都是现有的药物，在人体中的安全性和药代动力学已经得到了实际证实，因此它们可以作为一种手段，对有可能患阿尔茨海默病的人和处于轻度认知障碍（MCI）发展前阶段的人进行先期治疗。
• REPURPOSING COMPOUNDS FOR THE TREATMENT OF INFECTIONS AND FOR MODULATING THE COMPOSITION OF THE GUT MICROBIOME
  申请人：European Molecular Biology Laboratory

  公开号：EP3524237A1

  公开（公告）日：2019-08-14

  The present invention relates to agents and compositions for the modification of the growth of bacterial cells. Thus, the compounds of the present invention are useful for the prevention and/or treatment of a disease in a subject. In particular, the present invention relates to the field of repurposing pharmaceutical compounds for treatment strategies of infectious diseases, gastrointestinal disorders, inflammatory diseases, proliferative diseases, metabolic disorders, cardiovascular diseases, and immunological diseases. Some of the compounds of the present invention demonstrate high specificity in inhibiting the growth of single bacterial species. Such compounds enable narrow-spectrum antibacterial therapies, constituting a major effort of current and future drug development strategies in order to reduce side effects of antibacterial treatment plans. Particularly interesting compounds of this invention are effective against pathobiological species such as Clostridium difficile, Clostridium perfingens, Fusobacterium nucleatum, and an enterotoxigenic strain of Bacteroides fragilis. Other compounds of the present invention reveal a strong inhibitory effect on a broad spectrum of bacterial species. Such compounds are useful for broad-spectrum antibiotic therapies of infections with unknown causative infecting bacterial species. Both types of compounds, especially the ones with narrow-spectrum antibacterial activity, can further be used for modulating the microbiome composition and targeting species associated with dysbiosis and disease.

  本发明涉及用于改变细菌细胞生长的制剂和组合物。因此，本发明的化合物可用于预防和/或治疗受试者的疾病。特别是，本发明涉及将药物化合物重新用于传染性疾病、胃肠道疾病、炎症性疾病、增殖性疾病、代谢性疾病、心血管疾病和免疫性疾病的治疗策略领域。本发明的一些化合物在抑制单一细菌种类生长方面表现出高度特异性。这类化合物能够实现窄谱抗菌疗法，是当前和未来药物开发战略的主要努力方向，以减少抗菌治疗计划的副作用。特别有趣的是，本发明的化合物对艰难梭菌、产气荚膜梭菌、核酸镰刀菌和脆弱拟杆菌的肠毒性菌株等病原菌有效。本发明的其他化合物对广谱细菌菌种具有很强的抑制作用。这类化合物可用于未知致病菌感染的广谱抗生素治疗。这两类化合物，尤其是具有窄谱抗菌活性的化合物，可进一步用于调节微生物组的组成，并针对与菌群失调和疾病相关的菌种。