Ethyl (6aR,7R,7aS,11aR)-9-(3-chlorophenyl)-6a,7a,8,9,10,11a-hexahydro-3-methoxy-7a-methyl-8,10-dioxo-6H,7H-[1]benzopyrano[3a(2),4a(2):4,5]pyrrolo[1,2-c]imidazole-7-carboxylate | 1135253-01-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: Ethyl (6aR,7R,7aS,11aR)-9-(3-chlorophenyl)-6a,7a,8,9,10,11a-hexahydro-3-methoxy-7a-methyl-8,10-dioxo-6H,7H-[1]benzopyrano[3a(2),4a(2):4,5]pyrrolo[1,2-c]imidazole-7-carboxylate
• 英文别名: ethyl (1R,10R,11R,12S)-14-(3-chlorophenyl)-5-methoxy-12-methyl-13,15-dioxo-8-oxa-14,16-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2(7),3,5-triene-11-carboxylate
• CAS: 1135253-01-8
• 化学式: C₂₄H₂₃ClN₂O₆
• 分子量: 470.9
• InChiKey: WBYOTMDLFSMNOV-QHYAIYAISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  85.4
• 氢给体数：
  0
• 氢受体数：
  6

文献信息

• COMPOUNDS AS RORyT MODULATORS AND USES THEREOF
  申请人：Littman Dan

  公开号：US20130065842A1

  公开（公告）日：2013-03-14

  Heterocyclic compounds, and pharmaceutical compositions thereof, are disclosed as RORγt modulators that have a formula represented by the following: and wherein n1, n2, R 1 , R 2 , R 3 , and R 4 are as described herein. These compounds may be used for the prevention and treatment of a variety of conditions in mammals including humans, including by way of non-limiting example, inflammatory conditions, autoimmune disorders, cancer, and graft-versus-host disease.
• US9101600B2
  申请人：——

  公开号：US9101600B2

  公开（公告）日：2015-08-11