tert-butyl 2-((4-bromobenzyl)oxy)acetate | 1454928-09-6

• 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: tert-butyl 2-((4-bromobenzyl)oxy)acetate
• 英文别名: Tert-butyl 2-((4-bromobenzyl)oxy)acetate；tert-butyl 2-[(4-bromophenyl)methoxy]acetate
• CAS: 1454928-09-6
• 化学式: C₁₃H₁₇BrO₃
• 分子量: 301.18
• InChiKey: BCLBKAOUGQLBNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  17
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl 2-((4-bromobenzyl)oxy)acetate 在 2-双环己基膦-2',6'-二甲氧基联苯 、 potassium fluoride 、 palladium diacetate 、 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 118.5h， 生成 methyl [(6S)-4-(4'-{[2-({(2S)-1-[(2S,4R)-4-hydroxy-2-({(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl}carbamoyl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl}amino)-2-oxoethoxy]methyl}[1,1'-biphenyl]-4-yl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetate
  参考文献：
  名称：

  ＢＥＴ蛋白質分解誘導作用を有するアミド化合物及びその医薬としての用途

  摘要：

  对癌细胞具有细胞损伤作用，诱导癌细胞中BET蛋白质的降解作用，以及优越的BET蛋白质与乙酰化组蛋白结合抑制作用，提供作为抗癌药物、BET蛋白质降解诱导剂和BET蛋白质抑制剂有用的化合物。该化合物或其药理学上可接受的盐由下述通用式（I）表示。{式中，各符号如在说明书中定义。}

  公开号：

  WO2020009176A1
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 4-溴苄醇 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 以3.62 g的产率得到tert-butyl 2-((4-bromobenzyl)oxy)acetate
  参考文献：
  名称：

  ＢＥＴ蛋白質分解誘導作用を有するアミド化合物及びその医薬としての用途

  摘要：

  对癌细胞具有细胞损伤作用，诱导癌细胞中BET蛋白质的降解作用，以及优越的BET蛋白质与乙酰化组蛋白结合抑制作用，提供作为抗癌药物、BET蛋白质降解诱导剂和BET蛋白质抑制剂有用的化合物。该化合物或其药理学上可接受的盐由下述通用式（I）表示。{式中，各符号如在说明书中定义。}

  公开号：

  WO2020009176A1

文献信息

• [EN] TRIAZOLONE COMPOUNDS AND USES THEREOF<br/>[FR] COMPOSÉS DE TRIAZOLONE ET LEURS UTILISATIONS
  申请人：INCEPTION 2 INC

  公开号：WO2013134562A1

  公开（公告）日：2013-09-12

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及的化合物属于式(I)及其药学上可接受的盐，可用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。该发明还包括含有式(I)化合物的治疗有效量或其药学上可接受的盐的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法，包括给予选择性PPARα拮抗剂的治疗有效量。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及一种预防急性和慢性骨髓性白血病以及其他癌症发作和/或复发的方法，包括给予选择性PPARα拮抗剂的治疗有效量。
• TRIAZOLONE COMPOUNDS AND USES THEREOF
  申请人：INCEPTION 2, INC.

  公开号：US20150080412A1

  公开（公告）日：2015-03-19

  The invention disclosed herein is directed to compounds of Formula (I) and pharmaceutically acceptable salts thereof, which are useful in the treatment of prostate, breast, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention also comprises pharmaceutical compositions comprising a therapeutically effective amount of compound of Formula (I), or a pharmaceutically acceptable salt thereof. The invention disclosed herein is also directed to methods of treating prostate, breast, ovarian, liver, kidney, colon, pancreatic, human chronic lymphocytic leukemia, melanoma and other cancers. The invention disclosed herein is further directed to methods of treating prostate, breast, colon, pancreatic, chronic lymphocytic leukemia, melanoma and other cancers comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist. The compounds and pharmaceutical compositions of the invention are also useful in the treatment of viral infections, such as HCV infections and HIV infections. The invention disclosed herein is also directed to a methods of preventing the onset of and/or recurrence of acute and chronic myeloid leukemia, as well as other cancers, comprising administration of a of a therapeutically effective amount of a selective PPARα antagonist.

  本发明涉及公式(I)化合物及其药学上可接受的盐，用于治疗前列腺、乳腺、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症。本发明还包括含有公式(I)化合物或其药学上可接受的盐的治疗有效量的药物组合物。本发明还涉及治疗前列腺、乳腺、卵巢、肝脏、肾脏、结肠、胰腺、人类慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明还涉及通过给予选择性PPARα拮抗剂的治疗有效量来治疗前列腺、乳腺、结肠、胰腺、慢性淋巴细胞白血病、黑色素瘤和其他癌症的方法。本发明的化合物和药物组合物还可用于治疗病毒感染，如HCV感染和HIV感染。本发明还涉及通过给予选择性PPARα拮抗剂的治疗有效量来预防急性和慢性骨髓性白血病以及其他癌症的发生和/或复发的方法。
• AMIDE COMPOUND HAVING BET PROTEOLYSIS-INDUCING ACTION AND MEDICINAL APPLICATION THEREOF
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP3819305A1

  公开（公告）日：2021-05-12

  Provided are a compound superior in a cytotoxic action on cancer cells, an action inducing degradation of BET protein in cancer cells, and an inhibitory action on the binding of BET protein and acetylated histone, and useful as an anticancer agent, a BET protein degradation inducer or a BET protein inhibitor. A compound represented by the following formula (I) wherein each symbol is as defined in the specification, or a pharmacologically acceptable salt thereof

  本发明提供了一种化合物，该化合物对癌细胞具有卓越的细胞毒性作用、诱导癌细胞中 BET 蛋白降解的作用以及抑制 BET 蛋白与乙酰化组蛋白结合的作用，可用作抗癌剂、BET 蛋白降解诱导剂或 BET 蛋白抑制剂。下式（I）代表的化合物 其中各符号如说明书中所定义，或其药理上可接受的盐
• Non-systemic TGR5 agonists
  申请人：Venenum Biodesign, LLC

  公开号：US10654834B2

  公开（公告）日：2020-05-19

  The present invention relates to tricyclic compounds of formula (I) and formula (II), or a pharmaceutically acceptable salt thereof. The present tricyclic compounds are useful non-systemic TGR5 agonists that can be used to treat diabetic diseases in human. The present invention provides a pharmaceutical composition containing tricyclic compounds of formula (I) and formula (II) and a method of making as well as a method of using same in treating patients inflicted with metabolic disorders by administering same. The compounds of the present invention may be used in combination with additional anti-diabetic drugs.

  本发明涉及式（I）和式（II）的三环化合物或其药学上可接受的盐。本发明的三环化合物是有用的非系统性 TGR5 激动剂，可用于治疗人类糖尿病疾病。本发明提供了一种含有式（I）和式（II）三环化合物的药物组合物及其制造方法，以及一种通过给药治疗代谢紊乱患者的方法。本发明的化合物可与其他抗糖尿病药物联合使用。
• [EN] NOVEL NON-SYSTEMIC TGR5 AGONISTS<br/>[FR] NOUVEAUX AGONISTES DE TGR5 NON SYSTÉMIQUES
  申请人：VENENUM BIODESIGN LLC

  公开号：WO2018005794A3

  公开（公告）日：2018-02-08