蝾螈碱 | 467-51-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 中文名称: 蝾螈碱
• 英文名称: Samandarin
• 英文别名: samandarine；(1R,2S,3S,6R,8S,10S,11S,14R,16S)-2,6-dimethyl-19-oxa-17-azapentacyclo[14.2.1.02,14.03,11.06,10]nonadecan-8-ol
• CAS: 467-51-6
• 化学式: C₁₉H₃₁NO₂
• 分子量: 305.461
• InChiKey: HJCSQOSWSRPBOU-XTXNWKRWSA-N

物化性质

• 熔点：
  187-188°
• 比旋光度：
  D17 +43.3° (acetone)
• 沸点：
  427.9±40.0 °C(Predicted)
• 密度：
  1.111±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  蝾螈碱 在 lithium aluminium tetrahydride 、 乙醚 作用下， 生成 3-aza-A-homo-5β-androstane-1α,16β-diol
  参考文献：
  名称：

  Schoepf; Klein, Chemische Berichte, 1954, vol. 87, p. 1638,1655

  摘要：

  DOI：
• 作为产物：
  描述：

  Samandaron-hydrochlorid 在 sodium tetrahydroborate 作用下， 以 甲醇 、 水 为溶剂， 生成 蝾螈碱
  参考文献：
  名称：

  Habermehl,G., Chemische Berichte, 1963, vol. 96, p. 840 - 844

  摘要：

  DOI：

文献信息

• NEW USE FOR A COMPOUND AS A MATRIX IN THE SPECIFIC DETECTION, IDENTIFICATION AND/OR QUANTIFICATION OF ALKALOIDS BY MALDI-TOF MASS SPECTROMETRY
  申请人：Dias Marylène

  公开号：US20140319331A1

  公开（公告）日：2014-10-30

  There is provided (i) a method of analysing small molecules that may have a mass of <800 Da, in particular alkaloids, said method being generally referred to as MALDI-TOF-MS (or MALDI time-of-flight mass spectrometry), which is an acronym for a method of analysis by matrix-assisted laser desorption/ionisation time-of-flight mass spectrometry. Also provided is (ii) a molecule according to formula (I) and the use of the molecule as a matrix in the analysis method.

  提供了一种分析可能具有质量小于800 Da的小分子的方法，特别是生物碱，该方法通常被称为MALDI-TOF-MS（或MALDI飞行时间质谱），这是一种通过基质辅助激光解吸/电离飞行时间质谱分析的方法的首字母缩写。还提供了一种根据式（I）的分子以及将该分子用作分析方法中的基质的用途。
• Diversion- and/or abuse-resistant aompositions and methods for making the same
  申请人：Losev Mikhail Viktorovich

  公开号：US20110207761A1

  公开（公告）日：2011-08-25

  A composition formulated for diversion- and/or abuse-resistance, includes at least one active pharmaceutical ingredient (API), each present in an acidic form, a first compound capable of coupling to the acidic form of the API to form a complex, where the resulting complex is resistant to separation by conventional separation methods, and a second compound capable of preferentially coupling to the first compound to thereby release the API from the complex.

  一种旨在防止滥用和/或耐受性的组合物，包括至少一种活性药物成分（API），每种API以酸性形式存在，第一化合物能够与API的酸性形式偶联形成复合物，所得到的复合物对传统的分离方法具有耐受性，以及第二化合物能够优先与第一化合物偶联，从而释放复合物中的API。
• Diversion - And/Or Abuse-Resistant Compositions And Methods For Making The Same
  申请人：Invincible Biotechnology, LLC

  公开号：US20150335593A1

  公开（公告）日：2015-11-26

  A composition formulated for diversion- and/or abuse-resistance, includes at least one active pharmaceutical ingredient (API), each present in an acidic form, a first compound capable of coupling to the acidic form of the API to form a complex, where the resulting complex is resistant to separation by conventional separation methods, and a second compound capable of preferentially coupling to the first compound to thereby release the API from the complex.

  一种旨在防止滥用和/或耐受性的配方，包括至少一种活性药物成分（API），每种成分以酸性形式存在，第一化合物能够与API的酸性形式偶联形成复合物，所得复合物对常规分离方法具有耐受性，第二化合物能够优先与第一化合物偶联，从而释放复合物中的API。
• Methods and compositions for treating cancer using P2RX2 inhibitors
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US10457740B1

  公开（公告）日：2019-10-29

  The present invention provides methods for treating cancer using P2RX2 inhibitors, such as P2RX2 inhibitory antibodies, among others. The invention also features compositions containing P2RX2 inhibitors, methods of diagnosing patients with P2RX2-associated cancer, and methods of predicting the response of cancer in a subject to treatment with P2RX2 inhibitors.

  本发明提供了使用 P2RX2 抑制剂（如 P2RX2 抑制抗体等）治疗癌症的方法。本发明还包括含有 P2RX2 抑制剂的组合物、诊断 P2RX2 相关癌症患者的方法以及预测癌症对 P2RX2 抑制剂治疗的反应的方法。
• Methods for treating cancer using GRM8 inhibitors
  申请人：Flagship Pioneering Innovations V, Inc.

  公开号：US10683352B1

  公开（公告）日：2020-06-16

  The present invention provides methods for treating cancer using mGluR8 inhibitors, such as mGluR8 inhibitory antibodies and small molecules. The invention also features compositions containing mGluR8 inhibitors, methods of diagnosing patients with mGluR8-associated cancer, and methods of predicting the response of cancer in a subject to treatment with mGluR8 inhibitors.

  本发明提供了使用mGluR8抑制剂（如mGluR8抑制抗体和小分子）治疗癌症的方法。本发明还包括含有 mGluR8 抑制剂的组合物、诊断 mGluR8 相关癌症患者的方法以及预测癌症对 mGluR8 抑制剂治疗的反应的方法。