Benzo[d]thiazol-2-yl(2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl)methanone | 877878-47-2

• 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: Benzo[d]thiazol-2-yl(2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl)methanone
• 英文别名: [5-(1,3-benzothiazole-2-carbonyl)-2,3,4-trihydroxyphenyl]-(4-phenoxyphenyl)methanone
• CAS: 877878-47-2
• 化学式: C₂₇H₁₇NO₆S
• 分子量: 483.501
• InChiKey: CYBLECRKSFPWGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  35
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  145
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  [5-(benzothiazole-2-carbonyl)-2,3,4-trimethoxyphenyl]-(4-phenoxyphenyl)methanone 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 6.0h， 生成 Benzo[d]thiazol-2-yl(2,3,4-trihydroxy-5-(4-phenoxybenzoyl)phenyl)methanone
  参考文献：
  名称：

  Acylpyrogallols as Inhibitors of Antiapoptotic Bcl-2 Proteins

  摘要：

  A series of acylpyrogallols were designed, synthesized, and evaluated as small-molecule inhibitors of antiapoptotic Bcl-2 proteins. The most potent compound 9 (TM-179) binds to Bcl-2 with an IC50 of 170 nM and to Mcl-1 with a K-i of 37 nM. Compound 9 potently inhibits cell growth and induces apoptosis in human breast and prostate cancer cell lines.

  DOI：

  10.1021/jm701358v

文献信息

• Killing Senescent Cells And Treating Senescence-Associated Conditions Using A Bcl Inhibitor And An Mcl-1 Inhibitor
  申请人：Unity Biotechnology, Inc.

  公开号：US20210379078A1

  公开（公告）日：2021-12-09

  This invention is based on the discovery that inhibiting more than one pathway in senescent cells leading to apoptosis has a profound effect: namely, increasing the potency or the cell specificity of the therapy. Combining a Bcl inhibitor with an Mcl 1 inhibitor increases the ability of the Bcl inhibitor to remove senescent cells from the site of an adverse condition synergistically. This increases the types of senescent cells that can be targeted, broadens the therapeutic range, and allows the user to tailor a particular combination of agents by adjusting the molar ratio for the patient being treated. Suitable indications for treatment may include any condition thought to be mediated at least in part by senescent cells, such as ophthalmic conditions, pulmonary conditions, and atherosclerosis.
• US8557812B2
  申请人：——

  公开号：US8557812B2

  公开（公告）日：2013-10-15
• Acylpyrogallols as Inhibitors of Antiapoptotic Bcl-2 Proteins
  作者：Guozhi Tang、Zaneta Nikolovska-Coleska、Su Qiu、Chao-Yie Yang、Jie Guo、Shaomeng Wang

  DOI：10.1021/jm701358v

  日期：2008.2.1

  A series of acylpyrogallols were designed, synthesized, and evaluated as small-molecule inhibitors of antiapoptotic Bcl-2 proteins. The most potent compound 9 (TM-179) binds to Bcl-2 with an IC50 of 170 nM and to Mcl-1 with a K-i of 37 nM. Compound 9 potently inhibits cell growth and induces apoptosis in human breast and prostate cancer cell lines.