NSC76988 | 577-26-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: NSC76988
• 英文别名: 4',5,6,7,8-pentahydroxyflavone；5,6,7,8,4'-pentahydroxyflavone；nortangeretin；5,6,7,8-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one
• CAS: 577-26-4
• 化学式: C₁₅H₁₀O₇
• 分子量: 302.24
• InChiKey: SPZXXUUDYMHBSG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  127
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  NSC76988 、 二溴甲烷 在 potassium fluoride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.5h， 生成 6,7-methylenedioxy-4',5,8-trimethoxyflavone 、 7,8-methylenedioxy-4',5,6-trimethoxyflavone
  参考文献：
  名称：

  Iinuma, Munekazu; Tanaka, Toshiyuki; Matsuura, Shin, Chemical and pharmaceutical bulletin, 1984, vol. 32, # 3, p. 1006 - 1010

  摘要：

  DOI：
• 作为产物：
  描述：

  三裂尾草素 在 吡啶 、 sodium hydroxide 、 dipotassium peroxodisulfate 、 氢碘酸 、 乙酸酐 作用下， 生成 NSC76988
  参考文献：
  名称：

  Murti et al., Proceedings - Indian Academy of Sciences, Section A, 1947, # 26, p. 182,186

  摘要：

  DOI：

文献信息

• Methods of treating Crohn's disease or ulcerative colitis by administering inhibitors of tumor necrosis factor-like cytokine 1A (TL1A)
  申请人：PROMETHEUS BIOSCIENCES, INC.

  公开号：US11136386B2

  公开（公告）日：2021-10-05

  Provided are methods, systems, and kits for selecting a patient for treatment with a therapeutic agent based on a presence of a genotype associated with a positive therapeutic response to the therapeutic agent. The therapeutic agent, in some embodiments, is an inhibitor of TL1A activity or expression, such as for example, an anti-TL1A antibody.

  本文提供的方法、系统和试剂盒用于根据是否存在与对治疗剂的阳性治疗反应相关的基因型，选择患者接受治疗剂的治疗。在某些实施方案中，治疗剂是 TL1A 活性或表达的抑制剂，例如抗 TL1A 抗体。
• USE OF ARTIFICIAL INTELLIGENCE TO IDENTIFY NOVEL TARGETS AND METHODOLOGIES FOR SKIN CARE TREATMENT
  申请人：Johnson & Johnson Consumer Inc.

  公开号：EP3928327A1

  公开（公告）日：2021-12-29
• Inhibitors of PFKFB3 for Cancer Therapy
  申请人：Lee Yong-Hwan

  公开号：US20120302631A1

  公开（公告）日：2012-11-29

  Compounds used to inhibit glycolytic pathway small molecule kinase 6-Phosphofructo-2-kinase/Fructose-2,6-bisphosphatase (PFKFB) are set forth; these inhibitors can be used in the treatment of certain diseases in which cells or tumors rely on glycolytic metabolism, such as many cancer cells.
• TL1A PATIENT SELECTION METHODS, SYSTEMS, AND DEVICES
  申请人：Prometheus Biosciences, Inc.

  公开号：US20200362025A1

  公开（公告）日：2020-11-19

  Provided are methods, systems, and kits for selecting a patient for treatment with a therapeutic agent based on a presence of a genotype associated with a positive therapeutic response to the therapeutic agent. The therapeutic agent, in some embodiments, is an inhibitor of TL1A activity or expression, such as for example, an anti-TL1A antibody.
• METHODS AND SYSTEMS FOR CHARACTERIZING SEVERE CROHN'S DISEASE
  申请人：CEDARS-SINAI MEDICAL CENTER

  公开号：US20210079473A1

  公开（公告）日：2021-03-18

  The present disclosure describes methods, devices and systems of diagnosing, prognosing, and treating subjects with moderate to severe forms of Crohn's disease (CD) that is characterized by stricturing and internal penetrating disease phenotypes. Also described are methods and kits for characterizing a subtype of CD, and identifying a subject as being suitable for a therapy to treat the CD.