6-hydroxy-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzothiazol-7-carbaldehyde

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-hydroxy-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzothiazol-7-carbaldehyde
• 英文别名: 6-Hydroxy-2-[4-(4-methyl-piperidine-1-carbonyl)-phenyl]-benzothiazole-7-carbaldehyde；6-hydroxy-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]-1,3-benzothiazole-7-carbaldehyde
• 化学式: C₂₁H₂₀N₂O₃S
• 分子量: 380.467
• InChiKey: OPQAIYCKOILEEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  98.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乌洛托品 、 [4-(6-hydroxybenzothiazol-2-yl)phenyl](4-methylpiperidin-1-yl)methanone 在 三氟乙酸 作用下， 反应 1.0h， 以26%的产率得到6-hydroxy-2-[4-(4-methylpiperidine-1-carbonyl)phenyl]benzothiazol-7-carbaldehyde
  参考文献：
  名称：

  ＩＲＥ−１αインヒビター

  摘要：

  这是一个关于直接抑制肝细胞内胞外信号调节激酶1（IRE-1α）活性的化合物、它们的前药以及药学上可接受的盐的提供的问题。这些化合物由式（A）表示。[R3和R4是H等；Q5〜Q8与它们结合形成苯环并形成苯并环，Q5〜Q8中至少有一个是从N、S和O中选择的杂原子]【选择图】无

  公开号：

  JP2015214548A

文献信息

• IRE-1α inhibitors
  申请人：Zeng Qingping

  公开号：US09040714B2

  公开（公告）日：2015-05-26

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts there-of. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response or with regulated IRE1-dependent decay (RIDD) and can be used as single agents or in combination therapies.

  直接抑制体外IRE-1α活性的化合物、前药和药学上可接受的盐。这些化合物和前药可用于治疗与未折叠蛋白质反应或调节的IRE1依赖性降解（RIDD）有关的疾病，并可作为单一药物或联合治疗的组合治疗方案。
• IRE-1alpha INHIBITORS
  申请人：MannKind Corporation

  公开号：US20150141424A1

  公开（公告）日：2015-05-21

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response or with regulated IRE1-dependent decay (RIDD) and can be used as single agents or in combination therapies.

  在体外直接抑制IRE-1α活性的化合物、前药及其药学上可接受的盐。这些化合物和前药可用于治疗与未折叠蛋白应答或受调节的IRE1依赖性降解（RIDD）相关的疾病，并可作为单一药物或联合治疗的组合疗法。
• IRE-1A INHIBITORS
  申请人：Fosun Orinove Pharmatech, Inc.

  公开号：EP3409276A1

  公开（公告）日：2018-12-05

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response or with regulated IRE1-dependent decay (RIDD) and can be used as single agents or in combination therapies.

  在体外直接抑制 IRE-1α 活性的化合物、原药及其药学上可接受的盐类。此类化合物和原药可用于治疗与未折叠蛋白反应或受调控的 IRE1 依赖性衰变（RIDD）相关的疾病，并可用作单药或联合疗法。
• IRE-1 INHIBITORS
  申请人：Fosun Orinove Pharmatech, Inc.

  公开号：EP2555768B1

  公开（公告）日：2018-08-29
• IRE-1ALPHA INHIBITORS
  申请人：Shanghai Fosun Pharmaceutical Industrial Development Co. Ltd.

  公开号：US20170326104A1

  公开（公告）日：2017-11-16

  Compounds which directly inhibit IRE-1α activity in vitro, prodrugs, and pharmaceutically acceptable salts thereof. Such compounds and prodrugs are useful for treating diseases associated with the unfolded protein response or with regulated IRE1-dependent decay (RIDD) and can be used as single agents or in combination therapies.