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clopenthixol | 53772-84-2

中文名称
——
中文别名
——
英文名称
clopenthixol
英文别名
(E)-Clopenthixol;zuclpenthixl;trans-clopenthixol;trans-clopentixol;Sordinol;2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
clopenthixol化学式
CAS
53772-84-2
化学式
C22H25ClN2OS
mdl
——
分子量
400.972
InChiKey
WFPIAZLQTJBIFN-BLLMUTORSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    4.3
  • 重原子数:
    27
  • 可旋转键数:
    5
  • 环数:
    4.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    52
  • 氢给体数:
    1
  • 氢受体数:
    4

ADMET

毒理性
  • 在妊娠和哺乳期间的影响
◉ 母乳喂养期间使用概述:Zuclopenthixol 在美国尚未获得食品药品监督管理局的批准上市,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50毫克或每两周注射72毫克的储库型注射剂,在母乳中产生的平较低,在哺乳婴儿中没有发现可察觉的短期不良效应。没有长期数据。一项国际指南建议服用zuclopenthixol的母亲不要哺乳。然而,一个安全评分系统发现zuclopenthixol在哺乳期间可以谨慎使用。在获得更多数据之前,zuclopenthixol应在哺乳期间仔细监测婴儿的情况下使用。 ◉ 对哺乳婴儿的影响:六位妇女在哺乳期间接受了zuclopenthixol治疗。其中5位妇女每天口服4至50毫克,1位妇女每两周接受一次72毫克的储库型注射。他们的哺乳婴儿年龄从3天到10个月不等,其中5位婴儿在2个月以下。没有立即出现如婴儿嗜睡等不良效应。 ◉ 对泌乳和母乳的影响:截至修订日期,没有找到相关的已发布信息。
◉ Summary of Use during Lactation:Zuclopenthixol 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 50 mg daily or depot injections of 72 mg every 2 weeks produce low levels in breastmilk and no detectable short-term adverse effects in the breastfed infants. No long-term data are available. One international guideline recommends that women taking zuclopenthixol not breastfeed. However, a safety scoring system finds zuclopenthixol possible to use cautiously during breastfeeding. Until more data are available, zuclopenthixol should be used with careful infant monitoring during breastfeeding. ◉ Effects in Breastfed Infants:Six women received zuclopenthixol during nursing. Five of the women were receiving 4 to 50 mg daily by mouth and one was receiving a depot injection of 72 mg every 2 weeks. Their breastfed infants ranged in age from 3 days to 10 months old, 5 of whom were 2 months or under. No immediate adverse effects such infant drowsiness were noted. ◉ Effects on Lactation and Breastmilk:Relevant published information was not found as of the revision date.
来源:Drugs and Lactation Database (LactMed)

反应信息

  • 作为产物:
    描述:
    tert-butyl 4-(benzoyloxy)piperazine-1-carboxylate2-氯噻吨酮丙二烯2-溴乙醇 在 copper diacetate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦甲基二甲氧基硅烷 作用下, 以 四氢呋喃 为溶剂, 反应 12.08h, 以4.762%的产率得到
    参考文献:
    名称:
    使用丙二烯(石油裂化副产物)的对映选择性烯丙基化
    摘要:
    丙二烯 (C3H4) 气体在石油精炼过程中以每年百万公吨的规模生产和分离,但很少用于有机合成。同时,向酮添加烯丙基 (C3H5) 是合成化学中最常见和最典型的反应之一。在此,我们报告了丙二烯气体与廉价且对环境无害的氢硅烷(如 PMHS)的组合,可以替代大多数对映选择性酮烯丙基化反应所需的化学计量数量的烯丙基金属试剂。该过程由铜盐和市售配体催化,无需专门设备或加压即可运行,并且可耐受广泛的官能团。此外,
    DOI:
    10.1021/jacs.8b13907
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文献信息

  • Treatment of infectious diseases
    申请人:BKG Pharma ApS
    公开号:EP2246349A1
    公开(公告)日:2010-11-03
    The present invention is directed to certain thioxanthene derivatives and phenothiazine derivatives suitable for use as anti-infective agents, in particular, for the treatment of infectious diseases. The invention furthermore relates to compositions comprising said anti-infective agents.
    本发明涉及某些适合用作抗感染剂,特别是用于治疗传染病的噻吨烷衍生物吩噻嗪生物。本发明还涉及包含上述抗感染剂的组合物。
  • THIOXANTHENE DERIVATIVES FOR THE TREATMENT OF INFECTIOUS DISEASES
    申请人:BKG Pharma ApS
    公开号:EP2778166A1
    公开(公告)日:2014-09-17
    The present invention is directed to certain thioxanthene derivatives and phenothiazine derivatives suitable for use as anti-infective agents, in particular, for the treatment of infectious diseases. The invention furthermore relates to compositions comprising said anti-infective agents.
    本发明涉及某些适合用作抗感染剂,特别是用于治疗传染病的噻吨烷衍生物吩噻嗪生物。本发明还涉及包含上述抗感染剂的组合物。
  • Lacosamide for add-on therapy of psychosis
    申请人:Stohr Thomas
    公开号:US20060252749A1
    公开(公告)日:2006-11-09
    A therapeutic combination, useful in a co-therapy method for prevention, alleviation or treatment of psychosis, comprises a first agent and a second agent, wherein the first agent comprises at least one psychosis-treating compound and the second agent comprises at least one compound according to Formula (III): or a pharmaceutically acceptable salt thereof, wherein R 4 is one or more substituents independently selected from the group consisting of hydrogen, halo, alkyl, alkenyl, alkynyl, nitro, carboxy, formyl, carboxyamido, aryl, quaternary ammonium, haloalkyl, aryl alkanoyl, hydroxy, alkoxy, amino, alkylamino, dialkylamino, aryloxy, mercapto, alkylthio, alkylmercapto, and disulfide; R 3 is selected from the group consisting of hydrogen, alkyl, alkoxy, alkoxyalkyl, aryl, N-alkoxy-N-alkylamino, and N-alkoxyamino; and R 1 is alkyl.
    一种治疗组合物,可用于预防、缓解或治疗精神病的联合治疗方法,包括第一种制剂和第二种制剂,其中第一种制剂包括至少一种治疗精神病的化合物,第二种制剂包括至少一种符合式(III)的化合物: 或其药学上可接受的盐,其中 R 4 是一个或多个取代基,独立地选自氢、卤代、烷基、烯基、炔基、硝基、羧基、甲酰基、羧基基、芳基、季盐、卤代烷基、芳基烷酰基、羟基、烷氧基、基、烷基基、二烷基基、芳氧基、巯基、烷基、烷基巯基和二硫化物组成的组;R 3 选自由氢、烷基、烷氧基、烷氧基烷基、芳基、N-烷氧基-N-烷基基和 N-烷氧基基组成的组;以及 R 1 是烷基。
  • SGLT-2 INHIBITORS FOR TREATING METABOLIC DISORDERS IN PATIENTS TREATED WITH NEUROLEPTIC AGENTS
    申请人:Boehringer Ingelheim International GmbH
    公开号:EP2714052B1
    公开(公告)日:2018-09-19
  • METHODS OF TREATMENT, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF
    申请人:WIENRICH Marion
    公开号:US20130137646A1
    公开(公告)日:2013-05-30
    The invention relates to methods for preventing, slowing the progression of, delaying or treating metabolic disorders induced in patients by the treatment with neuroleptic agents comprising administering to the patients an SGLT2 inhibitor.
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