芽子碱甲基酯盐酸盐 | 38969-40-3

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 托烷生物碱
• 中文名称: 芽子碱甲基酯盐酸盐
• 中文别名: 芽子碱甲酯盐酸盐水合物
• 英文名称: Ecgonine methyl ester hydrochloride
• 英文别名: (1R)-3exo-hydroxy-tropane-2exo-carboxylic acid methyl ester; hydrochloride；(1R)-3exo-Hydroxy-tropan-2exo-carbonsaeure-methylester; Hydrochlorid；hydron;methyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;chloride
• CAS: 38969-40-3
• 化学式: C₁₀H₁₇NO₃*ClH
• 分子量: 235.711
• InChiKey: RLLMNWXOZDXKCQ-NPPHLGRCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.42
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  芽子碱甲基酯盐酸盐 在 phosphate buffer 作用下， 以 水 为溶剂， 生成 芽子碱
  参考文献：
  名称：

  药物制剂中稳定性的预测。二十一：可卡因降解产物，芽子碱甲酯的水解分析和动力学，以及可卡因在狗体内的药代动力学。

  摘要：

  DOI：

  10.1002/jps.2600830233
• 作为产物：
  描述：

  盐酸古柯碱 在 盐酸 作用下， 反应 15.0h， 生成 芽子碱甲基酯盐酸盐
  参考文献：
  名称：

  Radioimmunoassay of benzoylecgonine in samples of forensic interest

  摘要：

  摘要：本文描述了一种简单经济的血液或尿液苯甲酰异可卡因放射免疫测定方法。溶血、分解、常见的抗凝剂和氟化钠不会影响结果。商业上可获得的抗血清以1：600的稀释度使用。示踪剂是放射性碘化的对羟基苯甲酰异可卡因。它是通过将对乙酰基苯甲酸酐与甲基异可卡因反应，然后进行温和水解和Iodo-gen方法的放射性碘化制备的。该产品在一次性硅胶柱上纯化，其比活性约为30 TBq mmol−1。聚乙二醇用于分离测定中的结合和游离分数。剂量-反应曲线的范围为0-400 ng ml−1 苯甲酰异可卡因。该测定方法对苯甲酰异可卡因具有很大的特异性。可卡因、异可卡因、甲基异可卡因和肉桂酰可卡因的交叉反应轻微或可以忽略不计。测定方法的间测变异系数为7.5％，从“掺假”的血液中回收苯甲酰异可卡因的百分比为103％。对于血液和尿液，"截止值"为20 ng ml−1 苯甲酰异可卡因。放射免疫测定和高效液相色谱法的结果是一致的。

  DOI：

  10.1111/j.2042-7158.1984.tb06930.x

文献信息

• Anti-cocaine catalytic antibody
  申请人：The Trustees of Columbia University in the City of New York

  公开号：US20030077793A1

  公开（公告）日：2003-04-24

  Disclosed are catalytic antibodies and polypeptides capable of degrading cocaine. Said catalytic antibodies and polypeptides are characterized by the amino acid sequence of their complementary determining regions and framework regions. The present invention also discloses a pharmaceutical composition and a method for decreasing the concentration and a method for decreasing the concentration of cocaine of a subject. Finally, the invention discloses pharmaceutical compositions and methods for treating cocaine overdose and addiction in subjects.

  本发明揭示了能够降解可卡因的催化抗体和多肽。所述催化抗体和多肽的特征在于它们的互补决定区域和框架区域的氨基酸序列。本发明还揭示了一种降低受试者体内可卡因浓度的药物组合物和方法。最后，本发明还揭示了用于治疗受试者可卡因过量和成瘾的药物组合物和方法。
• Spin labeled compounds
  申请人：Syva Company

  公开号：US03966744A1

  公开（公告）日：1976-06-29

  Compounds are provided for use in assays of organic compounds, where organic compounds of biological interest are determined at extremely low concentrations by combining in a medium, the composition to be determined, hereinafter referred to as ligand, a high molecular weight material of at least 10,000 molecular weight, which has a site spatially characteristic of the ligand, hereinafter referred to as receptor, and an analog of the ligand having a free radical functionality, hereinafter referred to as "ligand analog". The ligand analog and ligand in the medium compete for the receptor site, the amount of ligand analog bound to the receptor, being dependent on the amount of ligand present in the medium. By following the change in electron spin resonance spectrum of the ligand analog and comparing it to the change in spectrum which would be obtained in the absence of any ligand, the amount of ligand can be determined.

  化合物可用于有机化合物的测定中，其中生物学上感兴趣的有机化合物通过在介质中结合要测定的组成物，以下简称配体，至少具有10,000分子量的高分子量材料，其具有空间特征的配体受体，以下简称受体，以及具有自由基功能的配体类似物，以下简称“配体类似物”。介质中的配体类似物和配体竞争受体位点，配体类似物结合到受体的数量取决于介质中存在的配体数量。通过跟踪配体类似物的电子自旋共振光谱的变化，并将其与在没有任何配体情况下获得的光谱变化进行比较，可以确定配体的数量。
• Ligand determination of spin labeled compounds by receptor
  申请人：Syva Company

  公开号：US03966764A1

  公开（公告）日：1976-06-29

  Compounds are provided for use in assays of organic compounds, where organic compounds of biological interest are determined at extremely low concentrations by combining in a medium, the composition to be determined, hereinafter referred to as ligand, a high molecular weight material of at least 10,000 molecular weight, which has a site spatially characteristic of the ligand, hereinafter referred to as receptor, and an analog of the ligand having a free radical functionality, hereinafter referred to as "ligand analog". The ligand analog and ligand in the medium compete for the receptor site, the amount of ligand analog bound to the receptor, being dependent on the amount of ligand present in the medium. By following the change in electron spin resonance spectrum of the ligand analog and comparing it to the change in spectrum which would be obtained in the absence of any ligand, the amount of ligand can be determined.

  提供了化合物，用于有机化合物的测定，其中生物学上感兴趣的有机化合物通过在介质中结合待测的组分（以下简称配体）、至少具有10,000分子量的高分子量材料（以下简称受体），其具有与配体空间特征的位点，以及具有自由基官能团的配体类似物（以下简称“配体类似物”）来测定，配体类似物和介质中的配体竞争受体位点，配体类似物结合到受体的数量取决于介质中存在的配体的数量。通过跟踪配体类似物的电子自旋共振光谱的变化，并将其与在没有任何配体的情况下获得的光谱变化进行比较，可以确定配体的数量。
• Antibodies to nitrogen derivatives of benzoyl ecgonine antigenic
  申请人：Syva Company

  公开号：US04197237A1

  公开（公告）日：1980-04-08

  Nitrogen derivatives of benzoyl ecgonine and cocaine are provided, particularly amino, diazonium, and diazo derivatives, the compounds finding use either directly or as intermediates for the preparation of reagents for use in immunoassays. Diazo compounds can be coupled with antigenic materials for the preparation of antibodies to benzoyl ecgonine and/or cocaine. The amino group can be combined with active non-oxo-carbonyl compounds to form reagents which find use in immunoassays.

  提供苯甲酰异可卡因和可卡因的氮衍生物，特别是氨基、重氮和重氮衍生物，这些化合物可以直接使用或作为制备免疫测定试剂的中间体。重氮化合物可以与抗原材料偶联，制备对苯甲酰异可卡因和/或可卡因的抗体。氨基团可以与活性非氧代羰基化合物结合，形成在免疫测定中使用的试剂。
• Lysozyme conjugates for enzyme immunoassays
  申请人：Syva Company

  公开号：US04065354A1

  公开（公告）日：1977-12-27

  Novel conjugated enzyme compositions are provided for use in homogeneous immunoassays. A wide variety of haptenic compounds, such as drugs of abuse, therapeutic drugs, naturally occurring hormones, and the like, are conjugated to the enzyme lysozyme for use as reagents in homogeneous enzyme immunoassays. From 1 to 5 haptens are conjugated to the enzyme, and the enzyme is substantially inhibited when bound to antibodies bound to the conjugated hapten.

  提供了新型的共轭酶组合物，用于均相免疫分析。各种半抗原化合物，如滥用药物、治疗药物、自然发生的激素等，均与酶溶菌酶共轭，用作均相酶免疫分析中的试剂。将1到5个半抗原共轭到酶上，当结合到共轭半抗原的抗体上时，酶会被明显抑制。