1-{7-chloro-6-fluoro-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-hydroxyethan-1-one | 2287331-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 1-{7-chloro-6-fluoro-5-methyl-1H,2H,3H,4H,5H-pyrido[4,3-b]indol-2-yl}-2-hydroxyethan-1-one
• 英文别名: 1-(7-chloro-6-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-2-hydroxyethanone
• CAS: 2287331-29-5
• 化学式: C₁₄H₁₄ClFN₂O₂
• 分子量: 296.72
• InChiKey: MLRXPYAADOGYND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  45.5
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4, 3-b]INDOLE INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES
  申请人：The Rockefeller University

  公开号：US20210155625A1

  公开（公告）日：2021-05-27

  1-(3,4-Dihydro-1H-pyrido[4, 3-b]indol-2(5H)-yl)-2-hydroxyethanones are disclosed. The compounds are inhibitors of human cGAS in interferon-producing cell types. They are thus useful as therapeutic agents for treating cGAS-related autoimmune diseases in humans.
• INHIBITORS OF cGAS FOR TREATING AUTOINFLAMMATORY DISEASES AND CANCER METASTASIS
  申请人：The Rockefeller University

  公开号：US20220185812A1

  公开（公告）日：2022-06-16

  Tri-cyclyl nitrogen-containing heterocyclic compounds are disclosed. The compounds are inhibitors of human cGAS in interferon-producing cell types. They are thus useful as therapeutic agents for treating cGAS-related autoimmune diseases in humans.