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methyl (3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

中文名称
——
中文别名
——
英文名称
methyl (3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
英文别名
——
methyl (3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate化学式
CAS
——
化学式
C17H21NO4
mdl
——
分子量
303.35
InChiKey
ZPUCINDJVBIVPJ-YFXXHVASSA-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):
    2.3
  • 重原子数:
    22
  • 可旋转键数:
    5
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.53
  • 拓扑面积:
    55.8
  • 氢给体数:
    0
  • 氢受体数:
    5

文献信息

  • [EN] COCAINE ANALOGS AND METHODS OF PREPARATION AND USES THEREOF<br/>[FR] ANALOGUES DE COCAÏNE ET LEURS PROCÉDÉS DE PRÉPARATION ET D'UTILISATION
    申请人:UNIV TEMPLE
    公开号:WO2012009263A1
    公开(公告)日:2012-01-19
    The invention provides novel cocaine analogs. The invention also provides a method of preparing cocaine analogs with control over the substituents installed at the C-1, C-2, C-3, C-4 and N-8 positions of the tropane bicyclic scaffold. The invention further provides a method of providing anesthesia to a subject in need thereof comprising administering to the subject a pharmaceutical composition comprising a compound of the invention. The invention also provides a method of blocking reuptake of a monoamine neurotransmitter in a subject in need thereof, to a subject in need thereof comprising administering to the subject a pharmaceutical composition comprising a compound of the invention.
    该发明提供了新型可卡因类似物。该发明还提供了一种制备可卡因类似物的方法,该方法可以控制在Tropane双环支架的C-1、C-2、C-3、C-4和N-8位置安装的取代基。该发明还提供了一种给需要麻醉的受试者提供麻醉的方法,包括向受试者注射包含该发明化合物的药物组合物。该发明还提供了一种阻止需要单胺神经递质再摄取的受试者的方法,包括向受试者注射包含该发明化合物的药物组合物。
  • Immunogenic Conjugates for Producing Immune Responses to Drugs of Abuse and Methods of Use
    申请人:Mizel Steven B.
    公开号:US20120171239A1
    公开(公告)日:2012-07-05
    The present invention is based, in part, on flagellin adjuvants that enhance immune responses directed against drugs of abuse. Provided are conjugates comprising a flagellin adjuvant covalently linked to a drug of abuse or an immunologically similar derivative thereof. Also provided are methods of making the conjugates of the invention and use thereof for administration to a subject, e.g., to produce an immune response in the subject against the drug of abuse, to prevent addiction to the drug of abuse in the subject, to reduce the effect of the drug of abuse in the subject, to reduce the level of the drug of abuse in the brain of the subject, and/or to reduce the addiction in the subject to the drug of abuse.
    本发明部分基于增强针对药物滥用的免疫反应的鞭毛蛋白佐剂。提供的是包括鞭毛蛋白佐剂的共轭物,其与药物滥用或其免疫学上类似的衍生物共价连接。同时提供了制备该发明中的共轭物的方法,并用于向受试者施用,例如,在受试者中产生针对药物滥用的免疫反应,预防受试者对药物滥用的成瘾,减轻受试者对药物滥用的影响,降低受试者大脑中药物滥用的平,以及/或减轻受试者对药物滥用的成瘾。
  • Method of treating disease
    申请人:Crews Thomas M
    公开号:US11123284B2
    公开(公告)日:2021-09-21
    The present disclosure relates to methods for treating a variety of diseases and/or ameliorating pain by administering to the ear canal of a subject a composition.
    本公开涉及通过向受试者的耳道施用组合物来治疗各种疾病和/或改善疼痛的方法。
  • Delivery of Serotonin Receptor Antagonists By Microinjection Systems
    申请人:Deasey Anthony P.
    公开号:US20120143119A1
    公开(公告)日:2012-06-07
    In an aspect of the invention, serotonin receptor antagonist formulations are provided for subcutaneous, transdermal or intradermal delivery to a subject. In an embodiment, serotonin receptor antagonist formulations include ondansetron or ondansetron-containing formulations. In another embodiment, serotonin receptor antagonist formulations include palonosetron or palonosetron-containing formulations. In another aspect of the invention, microinjection devices are provided for delivering a serotonin receptor antagonist formulation to a subject.
  • Cocaine Analogs and Methods of Preparation and Uses Thereof
    申请人:Davis Franklin A.
    公开号:US20120329828A1
    公开(公告)日:2012-12-27
    The invention provides novel cocaine analogs. The invention also provides a method of preparing cocaine analogs with control over the substituents installed at the C-1, C-2, C-3, C-4 and N-8 positions of the tropane bicyclic scaffold. The invention further provides methods of providing anesthesia, blocking reuptake of a monoamine neurotransmitter, and treating depression, by administering to a subject in need of such treatment a pharmaceutical composition comprising a compound of the invention.
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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mass
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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同类化合物

(βS)-β-氨基-4-(4-羟基苯氧基)-3,5-二碘苯甲丙醇 (S,S)-邻甲苯基-DIPAMP (S)-(-)-7'-〔4(S)-(苄基)恶唑-2-基]-7-二(3,5-二-叔丁基苯基)膦基-2,2',3,3'-四氢-1,1-螺二氢茚 (S)-盐酸沙丁胺醇 (S)-3-(叔丁基)-4-(2,6-二甲氧基苯基)-2,3-二氢苯并[d][1,3]氧磷杂环戊二烯 (S)-2,2'-双[双(3,5-三氟甲基苯基)膦基]-4,4',6,6'-四甲氧基联苯 (S)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (R)富马酸托特罗定 (R)-(-)-盐酸尼古地平 (R)-(-)-4,12-双(二苯基膦基)[2.2]对环芳烷(1,5环辛二烯)铑(I)四氟硼酸盐 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[((6-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(4-叔丁基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-7-双(3,5-二叔丁基苯基)膦基7''-[(3-甲基吡啶-2-基甲基)氨基]-2,2'',3,3''-四氢-1,1''-螺双茚满 (R)-(+)-4,7-双(3,5-二-叔丁基苯基)膦基-7“-[(吡啶-2-基甲基)氨基]-2,2”,3,3'-四氢1,1'-螺二茚满 (R)-3-(叔丁基)-4-(2,6-二苯氧基苯基)-2,3-二氢苯并[d][1,3]氧杂磷杂环戊烯 (R)-2-[((二苯基膦基)甲基]吡咯烷 (R)-1-[3,5-双(三氟甲基)苯基]-3-[1-(二甲基氨基)-3-甲基丁烷-2-基]硫脲 (N-(4-甲氧基苯基)-N-甲基-3-(1-哌啶基)丙-2-烯酰胺) (5-溴-2-羟基苯基)-4-氯苯甲酮 (5-溴-2-氯苯基)(4-羟基苯基)甲酮 (5-氧代-3-苯基-2,5-二氢-1,2,3,4-oxatriazol-3-鎓) (4S,5R)-4-甲基-5-苯基-1,2,3-氧代噻唑烷-2,2-二氧化物-3-羧酸叔丁酯 (4S,4''S)-2,2''-亚环戊基双[4,5-二氢-4-(苯甲基)恶唑] (4-溴苯基)-[2-氟-4-[6-[甲基(丙-2-烯基)氨基]己氧基]苯基]甲酮 (4-丁氧基苯甲基)三苯基溴化磷 (3aR,8aR)-(-)-4,4,8,8-四(3,5-二甲基苯基)四氢-2,2-二甲基-6-苯基-1,3-二氧戊环[4,5-e]二恶唑磷 (3aR,6aS)-5-氧代六氢环戊基[c]吡咯-2(1H)-羧酸酯 (2Z)-3-[[(4-氯苯基)氨基]-2-氰基丙烯酸乙酯 (2S,3S,5S)-5-(叔丁氧基甲酰氨基)-2-(N-5-噻唑基-甲氧羰基)氨基-1,6-二苯基-3-羟基己烷 (2S,2''S,3S,3''S)-3,3''-二叔丁基-4,4''-双(2,6-二甲氧基苯基)-2,2'',3,3''-四氢-2,2''-联苯并[d][1,3]氧杂磷杂戊环 (2S)-(-)-2-{[[[[3,5-双(氟代甲基)苯基]氨基]硫代甲基]氨基}-N-(二苯基甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[((1S,2S)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2S)-2-[[[[[[((1R,2R)-2-氨基环己基]氨基]硫代甲基]氨基]-N-(二苯甲基)-N,3,3-三甲基丁酰胺 (2-硝基苯基)磷酸三酰胺 (2,6-二氯苯基)乙酰氯 (2,3-二甲氧基-5-甲基苯基)硼酸 (1S,2S,3S,5S)-5-叠氮基-3-(苯基甲氧基)-2-[(苯基甲氧基)甲基]环戊醇 (1S,2S,3R,5R)-2-(苄氧基)甲基-6-氧杂双环[3.1.0]己-3-醇 (1-(4-氟苯基)环丙基)甲胺盐酸盐 (1-(3-溴苯基)环丁基)甲胺盐酸盐 (1-(2-氯苯基)环丁基)甲胺盐酸盐 (1-(2-氟苯基)环丙基)甲胺盐酸盐 (1-(2,6-二氟苯基)环丙基)甲胺盐酸盐 (-)-去甲基西布曲明 龙蒿油 龙胆酸钠 龙胆酸叔丁酯 龙胆酸 龙胆紫-d6 龙胆紫