O-2050 | 667419-91-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: O-2050
• 英文别名: (6aR,10aR)-3-(1-methanesulfonylamino-4-hexyn-6-yl)-6a,7,10,10a-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran；N-[6-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-3-yl]hex-4-ynyl]methanesulfonamide；N-[6-[(6aR,10aR)-1-hydroxy-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-3-yl]hex-4-ynyl]methanesulfonamide
• CAS: 667419-91-2
• 化学式: C₂₃H₃₁NO₄S
• 分子量: 417.569
• InChiKey: DJTGGIYZQHHLGJ-RTBURBONSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  84
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-norpentyl-3-(6-methanesulfamidohex-2-yne-yl)-O-triisopropylsilyl-Δ⁸-tetrahydrocannabinol 在 四丁基氟化铵 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以81%的产率得到O-2050
  参考文献：
  名称：

  Sulfonamide cannabinoid agonists and antagonists

  摘要：

  大麻素激动剂和拮抗剂可用于治疗急性和慢性疼痛、炎症、食欲减退、抽搐、多发性硬化、恶心和呕吐等疾病。这些大麻素激动剂和拮抗剂包含一个磺胺基团并入大麻素侧链中，侧链本身可能是饱和或不饱和的。

  公开号：

  US20050096379A1

文献信息

• PREVENTION OF BACTERIAL GROWTH AND BIOFILM FORMATION BY LIGANDS THAT ACT ON CANNABINOIDERGIC SYSTEMS
  申请人：Schetz John A.

  公开号：US20110301078A1

  公开（公告）日：2011-12-08

  A group of antimicrobial compounds shows effectiveness for preventing bacterial growth and bio film formation. In particular, the compounds are effective for preventing the growth of gram-positive bacteria, including methicillin-resistant Staphylococcus aureus (“MRSA”) bacteria. The compounds include naturally-occurring compounds such as linoleyl ethanolamide, noladin ether, and anandamide, and man-made compounds such as CP55,640 [(−)-cis-3-[2-Hydroxy-4-(l,l-dimethylheptyl)phenyl]-tran s-4-(3-hydroxypropyl)cyclohexanol] and O-2050 [(6aR,10aR)-3-(l-Methanesulfonylamino-4-hexyn-6-yl)-6a, 7,10,1 Oa-tetrahydro-6,6,9-trimethyl-6H-dibenzo[b,d]pyran]. Because these antibacterial compounds have unique modes of action and/or unique chemical scaffolds compared to traditional antibiotics, they are extremely useful against bacteria having resistances to antibiotics.
• Antagonists of the Cannabinoid Receptor CB1 for Use in the Treatment of Diseases Associated with Neuronal Dendritic Abnormalities
  申请人：UNIVERSITAT POMPEU FABRA

  公开号：US20160067235A1

  公开（公告）日：2016-03-10

  The invention relates to antagonists of the cannabinoid receptor CBI for use in the treatment and prevention of diseases associated with neural dendritic abnormalities, such as Down's syndrome, Angelman's syndrome, Rett syndrome and tuberous sclerosis. More specifically, the invention provides a method of treatment or prevention of such diseases by the administration of the compound rimonabant.
• US9192598B2
  申请人：——

  公开号：US9192598B2

  公开（公告）日：2015-11-24
• US9662320B2
  申请人：——

  公开号：US9662320B2

  公开（公告）日：2017-05-30