(3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 钩吻生物碱
• 英文名称: (3S)-2'-ethenyl-4'-methylspiro[1H-indole-3,7'-9-oxa-4-azatetracyclo[6.3.1.02,6.05,11]dodecane]-2-one
• 化学式: C₂₀H₂₂N₂O₂
• 分子量: 322.4
• InChiKey: NFYYATWFXNPTRM-VUMTWQQNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  3

ADMET

毒理性

• 非人类毒性摘录

北美地区生长的GELSEMIUM SEMPERVIRENS（黄茉莉）含有GELSEMINE和其他生物碱，已导致家畜尤其是牛的中毒。动物表现出虚弱、失调和抽搐。火鸡因此遭受严重损失。这些鸟变得嗜睡和懒惰，走路时摇摇晃晃，颈部肌肉失去控制。

GELSEMIUM SEMPERVIRENS (YELLOW JESSAMINE), OCCURRING IN NORTH AMERICA, CONTAINS GELSEMINE & OTHER ALKALOIDS, & HAS BEEN RESPONSIBLE FOR POISONING OF STOCK, PARTICULARLY CATTLE. THE ANIMALS SHOW WEAKNESS, INCOORDINATION & CONVULSIONS. ... SERIOUS LOSSES HAVE OCCURRED AMONG TURKEYS. THE BIRDS BECOME SLEEPY & LETHARGIC, STAGGER WHEN THEY ATTEMPT TO WALK, & LOSE CONTROL OF NECK MUSCLES. /GELSEMIUM SEMPERVIRENS/

来源:Hazardous Substances Data Bank (HSDB)

文献信息

• [EN] CONJUGATE COMPOUNDS<br/>[FR] COMPOSÉS CONJUGUÉS
  申请人：CALLAGHAN INNOVATION RES LTD

  公开号：WO2014088432A1

  公开（公告）日：2014-06-12

  The invention relates to sphingoglycolipid analogues and peptide derivatives thereof, which are useful in treating or preventing diseases or such as those relating to infection, atopic disorders, autoimmune diseases or cancer.

  这项发明涉及鞘氨醇糖脂类似物及其肽衍生物，可用于治疗或预防与感染、特应性疾病、自身免疫疾病或癌症相关的疾病。
• [EN] MAIT CELL AGONISTS<br/>[FR] AGONISTES DE CELLULES MAIT
  申请人：VICTORIA LINK LTD

  公开号：WO2019058289A1

  公开（公告）日：2019-03-28

  The invention relates to peptide conjugates of Formula (I). The peptide conjugates of the invention have activity as MAIT agonists. The peptide conjugates of the invention also enhance immune responses and therefore are effective vaccines and vaccine adjuvants. The invention also relates to methods and uses of such conjugates.

  本发明涉及式(I)的肽偶联物。发明的肽偶联物具有作为MAIT激动剂的活性。发明的肽偶联物还能增强免疫应答，因此是有效的疫苗和疫苗佐剂。本发明还涉及这些偶联物的方法和应用。
• METHODS AND COMPOSITIONS FOR TREATING INFECTION
  申请人：UNIVERSITY OF ROCHESTER

  公开号：US20150238473A1

  公开（公告）日：2015-08-27

  Provided herein are compositions and methods for treating or preventing infection.

  本文提供了用于治疗或预防感染的组合物和方法。
• [EN] AMINO SPHINGOGLYCOLIPID ANALOGUES<br/>[FR] ANALOGUES D'AMINO-SPHINGOGLYCOLIPIDE
  申请人：ANDERSON REGAN JAMES

  公开号：WO2015187040A1

  公开（公告）日：2015-12-10

  The invention relates to amino sphingoglycolipid analogues and peptide derivatives thereof, compositions comprising these compounds and methods of treating or preventing diseases or conditions using such compounds, especially diseases or conditions relating to cancer, infection, atopic disorders, autoimmune disease or diabetes.

  该发明涉及氨基鞘糖脂类似物及其肽衍生物，包括这些化合物的组合物以及使用这些化合物治疗或预防疾病或病况的方法，特别是涉及癌症、感染、特应性疾病、自身免疫疾病或糖尿病等疾病或病况。
• CONJUGATE COMPOUNDS
  申请人：ANDERSON Regan James

  公开号：US20150352219A1

  公开（公告）日：2015-12-10

  The invention relates to sphingoglycolipid analogues and peptide derivatives thereof, which are useful in treating or preventing diseases or such as those relating to infection, atopic disorders, autoimmune diseases or cancer.

  该发明涉及鞘氨醇糖脂类似物及其肽衍生物，可用于治疗或预防感染、特应性疾病、自身免疫疾病或癌症等疾病。