1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9H-thioxanthen-9-ylidene)propyl]piperazine-1,4-diium dichloride

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻喃类
• 英文名称: 1-(2-Hydroxyethyl)-4-[3-(2-trifluoromethyl-9H-thioxanthen-9-ylidene)propyl]piperazine-1,4-diium dichloride
• 英文别名: 2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazine-1,4-diium-1-yl]ethanol;dichloride
• 化学式: C23H27Cl2F3N2OS
• 分子量: 507.4
• InChiKey: IOVDQEIIMOZNNA-MHKBYHAFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.45
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  52
• 氢给体数：
  3
• 氢受体数：
  7

ADMET

毒理性

• 在妊娠和哺乳期间的影响

◉ 母乳喂养期间使用总结：氟奋乃静在美国尚未获得食品药品监督管理局的上市批准，但在其他国家可用。有限的信息表明，母亲每天口服剂量高达4毫克或每两周注射40毫克长效针剂，在母乳和哺乳婴儿的血清中产生的水平较低，并未引起不良发育后果。一个安全评分系统认为在母乳喂养期间可以谨慎使用氟奋乃静。在获得更多数据之前，应在仔细监测婴儿的情况下在母乳喂养期间使用氟奋乃静。 ◉ 对哺乳婴儿的影响：一名妇女在怀孕期间每天服用氟奋乃静1毫克和去甲替林100毫克，产后立即每天服用氟奋乃静4毫克和去甲替林125毫克。她完全用母乳喂养婴儿。在4个月的时间里，婴儿没有出现不良药物影响的迹象，并且在使用母亲每天服用氟奋乃静2毫克和去甲替林75毫克的情况下，运动发展正常。 ◉ 对泌乳和母乳的影响：氟奋乃静可以增加血清催乳素水平，并曾引起乳汁过多。在已建立泌乳的母亲中，催乳素水平可能不会影响她的哺乳能力。

◉ Summary of Use during Lactation:Flupenthixol is not approved for marketing in the United States by the U.S. Food and Drug Administration, but is available in other countries. Limited information indicates that maternal oral doses of up to 4 mg daily or depot injections of 40 mg every 2 weeks produced low levels in milk and breastfed infants' serum, and caused no adverse developmental consequences. A safety scoring system finds flupenthixol possible to use cautiously during breastfeeding. Until more data are available, flupenthixol should be used with careful infant monitoring during breastfeeding. ◉ Effects in Breastfed Infants:A woman took flupenthixol 1 mg and nortriptyline 100 mg daily during pregnancy and flupenthixol 4 mg and nortriptyline 125 mg daily immediately postpartum. She exclusively breastfed her infant. Over a 4-month period, the infant showed no signs of adverse drug effects and had normal motor development with a maternal dosage of flupenthixol 2 mg daily and nortriptyline 75 mg daily. ◉ Effects on Lactation and Breastmilk:Flupenthixol can increase serum prolactin and has caused galactorrhea. The prolactin level in a mother with established lactation may not affect her ability to breastfeed.

来源:Drugs and Lactation Database (LactMed)

文献信息

• [EN] AGONISTS AND ANTAGONISTS OF THE S1P5 RECEPTOR, AND METHODS OF USES THEREOF<br/>[FR] AGONISTES ET ANTAGONISTES DU RÉCEPTEUR S1P5, ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ABBOTT LAB

  公开号：WO2010093704A1

  公开（公告）日：2010-08-19

  Disclosed are compounds that are agonists or antagonists of the S1P5 receptor, compositions comprising said compounds, and methods of using said compounds and compositions. In certain embodiments, said compounds are 1-benzylazetidine-3-carboxylic acid derivatives. In certain embodiments, said methods relate to the treatment of neuropatic pain and/or a neurodegenerative disorder. In certain embodiments, said compounds may be used in combination with a second therapeutic agent.

  本文披露了作为S1P5受体激动剂或拮抗剂的化合物，包括含有这些化合物的组合物，以及使用这些化合物和组合物的方法。在某些实施例中，这些化合物是1-苄基氮杂环丙氨酸衍生物。在某些实施例中，这些方法涉及治疗神经痛和/或神经退行性疾病。在某些实施例中，这些化合物可以与第二治疗剂结合使用。
• COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES
  申请人：Johansen Lisa M.

  公开号：US20100009970A1

  公开（公告）日：2010-01-14

  The present invention features compositions, methods, and kits useful in the treatment of viral diseases. In certain embodiments, the viral disease is caused by a single stranded RNA virus, a flaviviridae virus, or a hepatic virus. In particular embodiments, the viral disease is viral hepatitis (e.g., hepatitis A, hepatitis B, hepatitis C, hepatitis D, hepatitis E) and the agent or combination of agents includes sertraline, a sertraline analog, UK-416244, or a UK-416244 analog. Also featured are screening methods for identification of novel compounds that may be used to treat a viral disease.

  本发明涉及用于治疗病毒性疾病的组合物、方法和试剂盒。在某些实施方式中，病毒性疾病是由单链RNA病毒、黄病毒科病毒或肝病毒引起的。在特定实施方式中，病毒性疾病是病毒性肝炎（例如甲型肝炎、乙型肝炎、丙型肝炎、丁型肝炎、戊型肝炎），药剂或药剂组合包括舍曲林、舍曲林类似物、UK-416244或UK-416244类似物。还包括用于鉴定可用于治疗病毒性疾病的新化合物的筛选方法。
• [EN] PROCESS FOR THE PREPARATION OF Z-FLUPENTIXOL<br/>[FR] PROCEDE DE PREPARATION DE Z-FLUPENTIXOL
  申请人：LABORATORIO CHIMICO INT SPA

  公开号：WO2005037820A1

  公开（公告）日：2005-04-28

  The present invention relates to a process for the separation of flupentixol isomers, particularly, a process for the preparation of Z-flupentixol and the decanoate ester and novel synthetic intermediates thereof.

  本发明涉及一种用于分离氟哌替醇异构体的方法，特别是用于制备Z-氟哌替醇和癸酸酯及其新型合成中间体的方法。
• 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。
• Small molecule toll-like receptor (TLR) antagonists
  申请人：Lipford B. Grayson

  公开号：US20050119273A1

  公开（公告）日：2005-06-02

  The invention provides methods and compositions useful for modulating signaling through Toll-like receptors. The methods involve contacting a TLR-expressing cell with a small molecule having a core structure including at least two rings. Certain of the compounds are 4-primary amino quinolines. Many of the compounds and methods are useful specifically for inhibiting immune stimulation involving at least one of TLR9, TLR8, TLR7, and TLR3. The methods may have use in the treatment of autoimmunity, inflammation, allergy, asthma, graft rejection, graft versus host disease, infection, sepsis, cancer, and immunodeficiency.

  本发明提供了用于调节通过Toll样受体信号传导的方法和组合物。该方法涉及使用含有至少两个环的核心结构的小分子与表达TLR的细胞接触。其中某些化合物是4-主氨基喹啉。许多化合物和方法特别适用于抑制涉及至少一个TLR9、TLR8、TLR7和TLR3的免疫刺激。该方法可用于治疗自身免疫、炎症、过敏、哮喘、移植排斥、移植物抗宿主病、感染、败血症、癌症和免疫缺陷。