3-(2-Hydroxy-ethyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one | 329221-11-6

• 分子结构分类: 有机化合物 - 生物碱及其衍生物 - 羽扇豆生物碱
• 英文名称: 3-(2-Hydroxy-ethyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one
• 英文别名: 12-(3-Hydroxyethyl)-cytisine；11-(2-hydroxyethyl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• CAS: 329221-11-6
• 化学式: C₁₃H₁₈N₂O₂
• 分子量: 234.298
• InChiKey: YACCDFQYQYSQKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  异氰酸甲酯 、 3-(2-Hydroxy-ethyl)-1,2,3,4,5,6-hexahydro-1,5-methano-pyrido[1,2-a][1,5]diazocin-8-one 以93%的产率得到
  参考文献：
  名称：

  DALIMOV, D. N.;KARIMOV, D. T.;VAJZBURG, G. M.;ABDUVAXABOV, A. A.;ABDULLAE+, XIMIYA PRIROD. SOED.,(1988) N, S. 825-831

  摘要：

  DOI：

文献信息

• Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases
  申请人：Cormier Yvon

  公开号：US20080221085A1

  公开（公告）日：2008-09-11

  Nicotine receptor agonists or analogs or derivatives thereof for treating inflammatory pulmonary diseases, and pharmaceutical compositions including nicotine receptor agonists or analogs or derivatives thereof. Compounds of formula wherein R1, R2, Xa and Ya are as defined herein are also provided.

  尼古丁受体激动剂或类似物或其衍生物用于治疗炎症性肺部疾病，以及包括尼古丁受体激动剂或类似物或其衍生物的制药组合物。本文还提供了式中R1、R2、Xa和Ya所定义的化合物。
• Croos-B Structure Binding Compounds
  申请人：Gebbink Martijn Frans Ben Gerard

  公开号：US20080267948A1

  公开（公告）日：2008-10-30

  The invention relates to the field of biochemistry, biophysical chemistry, molecular biology, structural biology and medicine. More in particular, the invention relates to cross-β structure conformation. Even more particular, the invention relates to compounds capable of binding to a compound with cross-β structure conformation, i.e. cross-β structure binding compounds and uses thereof.

  本发明涉及生物化学、生物物理化学、分子生物学、结构生物学和医学领域。更具体地说，本发明涉及交叉β结构构象。更具体地说，本发明涉及能够结合具有交叉β结构构象的化合物的化合物，即交叉β结构结合化合物及其用途。
• NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：CORMIER YVON

  公开号：US20120022049A1

  公开（公告）日：2012-01-26

  Nicotine receptor agonists or analogs or derivatives thereof for treating inflammatory pulmonary diseases, and pharmaceutical compositions including nicotine receptor agonists or analogs or derivatives thereof. Compounds of formula wherein R1, R2, Xa and Ya are as defined herein are also provided.

  尼古丁受体激动剂、类似物或其衍生物用于治疗炎症性肺部疾病，以及包含尼古丁受体激动剂、类似物或其衍生物的制药组合物。此外，还提供了公式中R1、R2、Xa和Ya定义如下的化合物。
• Cross-ß structure binding compounds
  申请人：Crossbeta Biosciences B.V.

  公开号：EP2386861A2

  公开（公告）日：2011-11-16

  The invention relates to the field of biochemistry, biophysical chemistry, molecular biology, structural biology and medicine. More in particular, the invention relates to cross-β structure conformation. Even more particular, the invention relates to compounds capable of binding to a compound with cross-β structure conformation, i.e. cross-β structure binding compounds and uses thereof.

  本发明涉及生物化学、生物物理化学、分子生物学、结构生物学和医学领域。更具体地说，本发明涉及交叉β结构构象。更具体地说，本发明涉及能够与具有交叉β结构构象的化合物结合的化合物，即交叉β结构结合化合物及其用途。
• Karimov, D. T.; Dalimov, D. N.; Abduvakhabov, A. A., Journal of general chemistry of the USSR, 1983, vol. 53, # 5, p. 1049 - 1052
  作者：Karimov, D. T.、Dalimov, D. N.、Abduvakhabov, A. A.、Godovikov, N. N.

  DOI：——

  日期：——