化合物CBP-IN-1 | 2222941-37-7

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 化合物CBP-IN-1
• 中文别名: 化合物CBP-IN-1
• 英文名称: Inobrodib
• 英文别名: (6S)-1-(3,4-difluorophenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one
• CAS: 2222941-37-7
• 化学式: C₃₀H₃₂F₂N₄O₃
• 分子量: 534.6
• InChiKey: SKDNDJWEBPQKCS-RIQBOWGZSA-N

物化性质

• 沸点：
  761.0±60.0 °C(Predicted)
• 密度：
  1.37±0.1 g/cm3(Predicted)
• 溶解度：
  乙醇：100.0（最大浓度 mg/mL）；187.06（最大浓度 mM）

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  39
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P312,P362,P403+P233,P501
• 危险性描述：
  H315,H319,H335

文献信息

• Pharmaceutical compounds
  申请人：CELLCENTRIC LTD

  公开号：US10696666B2

  公开（公告）日：2020-06-30

  A compound which is an arylimidazolyl isoxazole of formula (I): (Formula (I)) or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，它是式(I)的芳基咪唑基异噁唑：式（I））或其药学上可接受的盐。该化合物具有调节 p300 和/或 CBP 活性的活性，可用于治疗癌症，尤其是前列腺癌。
• PHARMACEUTICAL COMPOUNDS
  申请人：CellCentric Ltd

  公开号：EP3529248B1

  公开（公告）日：2020-08-19
• PROCESS FOR PREPARING MODULATORS OF P300 AND/OR CBP
  申请人：CELLCENTRIC LTD

  公开号：US20210163463A1

  公开（公告）日：2021-06-03

  A process for producing a compound of the following formula (I) which process comprises: (a) treating a compound of the following formula (5) with a compound of the following formula (6) to generate an intermediate compound of the following formula (7); (b) treating a compound of formula (7) as defined above with a compound of the following formula (8); and (c) recovering a compound of formula (I) as defined above. The compound of formula (I) is a promising modulator of p300/CBP activity that has potential utility in treating cancers, including prostate cancer, haematological cancers, bladder cancer and lung cancer.