Bcr-abl抑制剂II | 607702-99-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: Bcr-abl抑制剂II
• 英文名称: BO1
• 英文别名: Bcr-abl Inhibitor II；4-fluoro-N-[5-[(4-fluorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide
• CAS: 607702-99-8
• 化学式: C₁₆H₁₁F₂N₃OS₂
• 分子量: 363.412
• InChiKey: ZDYQINDXPNAOKX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  5-((4-fluorobenzyl)thio)-1,3,4-thiadiazol-2-amine 、 对氟苯甲酰氯 在 Amberlite(R) IRA-67 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 生成 Bcr-abl抑制剂II
  参考文献：
  名称：

  Discovery and SAR of 1,3,4-thiadiazole derivatives as potent Abl tyrosine kinase inhibitors and cytodifferentiating agents

  摘要：

  A series of substituted benzoylamino-2-[(4-benzyl)thio]-1,3,4-thiadiazoles has been discovered as potent AN tyrosine kinase inhibitors. Molecular docking simulations on the AN tyrosine kinase were conducted in order to rationalize the SAR of the synthesized inhibitors. The most active compound identified from the enzymatic screening (6a) showed interesting inhibitory activity on Imatimb-sensitive murine myeloid 3B clone and Bcr-Abl-independent Imatinib-resistant leukemia cells. Surprisingly, 6a was also proved to act as differentiating inducers in human promyelocytic leukemia cells (HL-60). (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.11.112

文献信息

• COMBINATION THERAPY USING BISPECIFIC ANTI-C-MET/ANTI-EGFR ANTIBODY AND C-SRC INHIBITOR
  申请人：Samsung Electronics Co., Ltd.

  公开号：US20150216972A1

  公开（公告）日：2015-08-06

  Pharmaceutical composition including a bispecific anti-c-Met/anti-EGFR antibody and a c-Src inhibitor and a method of preventing and/or treating cancer including co-administering a bispecific anti-c-Met/anti-EGFR antibody and a c-Src inhibitor to a subject in need thereof.
• US9730926B2
  申请人：——

  公开号：US9730926B2

  公开（公告）日：2017-08-15
• [EN] BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES<br/>[FR] MOLÉCULES BIFONCTIONNELLES POUR LA MODIFICATION SÉLECTIVE DE SUBSTRATS CIBLES
  申请人：[en]THE BROAD INSTITUTE, INC.

  公开号：WO2022225728A2

  公开（公告）日：2022-10-27

  The present disclosure relates to bifunctional chemical conjugation molecules, which find utility as modifiers of target substrates. The present disclosure includes multifunctional compounds comprising an enzyme binding moiety, a chemical linker moiety, and a target binding moiety, which may further include an electrophilic reactive group. Molecules according to the present invention find use making substrate modifications such as post- translational modifications to proteins that are not the natural substrate of the enzyme. Diseases or disorders may be treated or prevented with molecules of the present disclosure.
• Discovery and SAR of 1,3,4-thiadiazole derivatives as potent Abl tyrosine kinase inhibitors and cytodifferentiating agents
  作者：Marco Radi、Emmanuele Crespan、Giorgia Botta、Federico Falchi、Giovanni Maga、Fabrizio Manetti、Valentina Corradi、Manuela Mancini、Maria Alessandra Santucci、Silvia Schenone、Maurizio Botta

  DOI：10.1016/j.bmcl.2007.11.112

  日期：2008.2

  A series of substituted benzoylamino-2-[(4-benzyl)thio]-1,3,4-thiadiazoles has been discovered as potent AN tyrosine kinase inhibitors. Molecular docking simulations on the AN tyrosine kinase were conducted in order to rationalize the SAR of the synthesized inhibitors. The most active compound identified from the enzymatic screening (6a) showed interesting inhibitory activity on Imatimb-sensitive murine myeloid 3B clone and Bcr-Abl-independent Imatinib-resistant leukemia cells. Surprisingly, 6a was also proved to act as differentiating inducers in human promyelocytic leukemia cells (HL-60). (C) 2007 Elsevier Ltd. All rights reserved.