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3β-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid | 519-09-5

中文名称
——
中文别名
——
英文名称
3β-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid
英文别名
(3S,4R)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid;(2R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
3β-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2β-carboxylic acid化学式
CAS
519-09-5
化学式
C16H19NO4
mdl
——
分子量
289.331
InChiKey
GVGYEFKIHJTNQZ-CLRIEMFWSA-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

物化性质

  • 熔点:
    1950C (dec)
  • 沸点:
    431.49°C (rough estimate)
  • 密度:
    1.1267 (rough estimate)
  • 闪点:
    11 °C
  • 溶解度:
    DMF:30mg/mL; DMSO:25mg/mL;乙醇:30mg/mL; PBS(pH 7.2):3 mg/mL

计算性质

  • 辛醇/水分配系数(LogP):
    -0.3
  • 重原子数:
    21
  • 可旋转键数:
    4
  • 环数:
    3.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    66.8
  • 氢给体数:
    1
  • 氢受体数:
    5

安全信息

  • 危险等级:
    6.1(a)
  • 危险品标志:
    F,T
  • 安全说明:
    S16,S36/37,S45
  • 危险类别码:
    R11
  • WGK Germany:
    1
  • 危险品运输编号:
    UN 1230 3
  • 包装等级:
    II
  • 危险类别:
    6.1(a)

SDS

SDS:0bcf7e8a27e7aee40bec9e5c89673b95
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文献信息

  • Hapten-carrier conjugates for use in drug-abuse therapy and methods for preparation of same
    申请人:Xenova Research Limited
    公开号:US20030069400A1
    公开(公告)日:2003-04-10
    Hapten-carrier conjugates capable of eliciting anti-hapten antibodies in vivo by administering, in a therapeutic composition, are disclosed. Methods of preparing said conjugates and therapeutic compositions are also disclosed. Where the hapten is a drug of abuse, a therapeutic composition containing the hapten-carrier conjugate is particularly useful in the treatment of drug addiction, more particularly, cocaine addiction. Passive immunization using antibodies raised against conjugates of the instant invention is also disclosed. The therapeutic composition is suitable for co-therapy with other conventional drugs.
    本发明公开了能够通过在治疗组合物中给予而在体内引发抗半抗原抗体的半抗原-载体偶联物。本发明还公开了制备该偶联物和治疗组合物的方法。当半抗原是一种药物成瘾时,含有半抗原-载体偶联物的治疗组合物在治疗药物成瘾,尤其是可卡因成瘾方面特别有用。还公开了使用针对本发明偶联物所产生的抗体进行被动免疫的方法。该治疗组合物适用于与其他常规药物一起进行联合治疗。
  • Hapten-carrier conjugates for use in drug abuse therapy and methods for preparation of same
    申请人:Swain Philip A.
    公开号:US20100068222A1
    公开(公告)日:2010-03-18
    Hapten-carrier conjugates capable of eliciting anti-hapten antibodies in vivo by administering, in a therapeutic composition, are disclosed. Methods of preparing said conjugates and therapeutic compositions are also disclosed. Where the hapten is a drug of abuse, a therapeutic composition containing the hapten-carrier conjugate is particularly useful in the treatment of drug addiction, more particularly, cocaine addiction. Passive immunization using antibodies raised against conjugates of the instant invention is also disclosed. The therapeutic composition is suitable for co-therapy with other conventional drugs.
    本发明揭示了能够通过在治疗组合物中给予而在体内引起抗卟胶原抗体的卟胶原载体共轭物。本发明还揭示了制备该共轭物和治疗组合物的方法。当卟胶原是一种药物滥用物时,含有卟胶原载体共轭物的治疗组合物在治疗药物成瘾,更特别地,在可卡因成瘾的治疗中特别有用。本发明还揭示了使用针对本发明共轭物所提高的抗体进行被动免疫的方法。该治疗组合物适用于与其他传统药物联合治疗。
  • HAPTEN-CARRIER CONJUGATES FOR USE IN DRUG-ABUSE THERAPY AND METHODS FOR PREPARATION OF SAME
    申请人:Swain Philip A.
    公开号:US20100209449A1
    公开(公告)日:2010-08-19
    Hapten-carrier conjugates capable of eliciting anti-hapten antibodies in vivo by administering, in a therapeutic composition, are disclosed. Methods of preparing said conjugates and therapeutic compositions are also disclosed. Where the hapten is a drug of abuse, a therapeutic composition containing the hapten-carrier conjugate is particularly useful in the treatment of drug addiction, more particularly, cocaine addiction. Passive immunization using antibodies raised against conjugates of the instant invention is also disclosed. The therapeutic composition is suitable for co-therapy with other conventional drugs.
    本发明揭示了能够通过在治疗组合物中给予而在体内引发抗卟胶原抗体的卟胶原载体共轭物。本发明还揭示了制备该共轭物和治疗组合物的方法。当卟胶原是药物滥用时,含有卟胶原载体共轭物的治疗组合物在治疗药物成瘾,特别是可卡因成瘾方面特别有用。本发明还揭示了使用针对本发明共轭物所产生的抗体进行被动免疫的方法。该治疗组合物适用于与其他传统药物联合治疗。
  • HAPTEN-CARRIER CONJUGATES WITH BACTERIAL TOXINS HAVING A SIGNAL PEPTIDE AS CARRIER AND THEIR USE IN IMMUNOGENIC COMPOSITIONS
    申请人:Henry William
    公开号:US20120100171A1
    公开(公告)日:2012-04-26
    This invention relates to immunogenic compositions for inducing an immune response against an antigen of interest. In particular, the invention provides immunogenic compositions comprising an antigen-carrier conjugate, wherein the carrier is a bacterial toxin that contains a signal peptide. The invention also provides methods of generating immunogenic compositions with enhanced immunogenicity, comprising adding a signal peptide to the bacterial carrier in an antigen-carrier conjugate, such as a hapten-carrier conjugate. The invention also provides methods for inducing an immune response to a hapten in a subject using these immunogenic compositions.
    本发明涉及用于诱导针对感兴趣抗原的免疫反应的免疫原性组合物。具体而言,本发明提供包含抗原-载体共轭物的免疫原性组合物,其中载体是含有信号肽的细菌毒素。本发明还提供了增强免疫原性的免疫原性组合物的生成方法,包括将信号肽添加到细菌载体中的抗原-载体共轭物中,例如半抗原-载体共轭物。本发明还提供了使用这些免疫原性组合物诱导受体中半抗原的免疫反应的方法。
  • Small molecule metabolites for the diagnosis of bacterial vaginosis and assessment of disease risk
    申请人:Fred Hutchinson Cancer Research Center
    公开号:US10690651B2
    公开(公告)日:2020-06-23
    The invention disclosed herein generally relates to methods and kits for diagnosing, assessing disease risk, treating, and preventing bacterial vaginosis (BV) and associated conditions. Additional embodiments include methods for developing metabolic profiles associated with increased disease risk, and developing new approaches to treat BV based on interrupting metabolic networks.
    本文公开的发明一般涉及诊断、评估疾病风险、治疗和预防细菌性阴道病(BV)及相关疾病的方法和试剂盒。其他实施方案包括开发与疾病风险增加相关的代谢图谱的方法,以及开发基于干扰代谢网络治疗 BV 的新方法。
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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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