benzyl (7-nitro-5-phenyl-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]-diazepin-3-yl)carbamate | 209985-32-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: benzyl (7-nitro-5-phenyl-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]-diazepin-3-yl)carbamate
• 英文别名: 3-(benzyloxycarbonyl)-amino-2,3-dihydro-7-nitro-5-phenyl-1H-1,4-benzodiazepin-2-one；Phenylmethyl N-(2,3-dihydro-7-nitro-2-oxo-5-phenyl-1H-1,4-benzodiazepin-3-yl)carbamate；benzyl N-(7-nitro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate
• CAS: 209985-32-0
• 化学式: C₂₃H₁₈N₄O₅
• 分子量: 430.42
• InChiKey: VVMGQAAZQHXUAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  126
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  benzyl (7-nitro-5-phenyl-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]-diazepin-3-yl)carbamate 在 劳森试剂 、 一水合肼 作用下， 以 四氢呋喃 、 乙醇 、 甲苯 为溶剂， 反应 9.0h， 生成 benzyl (1-methyl-8-nitro-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)carbamate
  参考文献：
  名称：

  Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains

  摘要：

  The bromo and extra C-terminal domain (BET) family of bromodomains are involved in binding epigenetic marks on histone proteins, more specifically acetylated lysine residues. This paper describes the discovery and structure activity relationships (SAR) of potent benzodiazepine inhibitors that disrupt the function of the BET family of bromodomains (BRD2, BRD3, and BRD4). This work has yielded a potent, selective compound I-BET762 that is now under evaluation in a phase I/II clinical trial for nuclear protein in testis (NUT) midline carcinoma and other cancers.

  DOI：

  10.1021/jm401088k
• 作为产物：
  描述：

  2-(1H-苯并[d][1,2,3]噻唑-1-基)-2-(((苄氧基)羰基)氨基)乙酸 在 4-二甲氨基吡啶 、 ammonium acetate 、 氨 、 溶剂黄146 、 1,2-二氯乙烷 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 26.0h， 生成 benzyl (7-nitro-5-phenyl-2-thioxo-2,3-dihydro-1H-benzo[e][1,4]-diazepin-3-yl)carbamate
  参考文献：
  名称：

  Discovery of Epigenetic Regulator I-BET762: Lead Optimization to Afford a Clinical Candidate Inhibitor of the BET Bromodomains

  摘要：

  The bromo and extra C-terminal domain (BET) family of bromodomains are involved in binding epigenetic marks on histone proteins, more specifically acetylated lysine residues. This paper describes the discovery and structure activity relationships (SAR) of potent benzodiazepine inhibitors that disrupt the function of the BET family of bromodomains (BRD2, BRD3, and BRD4). This work has yielded a potent, selective compound I-BET762 that is now under evaluation in a phase I/II clinical trial for nuclear protein in testis (NUT) midline carcinoma and other cancers.

  DOI：

  10.1021/jm401088k

文献信息

• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020045747A1

  公开（公告）日：2002-04-18

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  公开了抑制β-淀粉样肽释放和/或其合成的化合物，因此可用于治疗阿尔茨海默病。还公开了包含抑制β-淀粉样肽释放和/或其合成的化合物的药物组合物，以及使用这些药物组合物预防性和治疗性治疗阿尔茨海默病的方法。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting B-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020173504A1

  公开（公告）日：2002-11-21

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及抑制&bgr;-淀粉样肽的释放和/或合成的化合物，因此具有治疗阿尔茨海默病的效用。还公开了包含抑制&bgr;-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防和治疗阿尔茨海默病的方法。
• Organic-inorganic membranes
  申请人：——

  公开号：US20040101760A1

  公开（公告）日：2004-05-27

  The invention relates to organic/inorganic hybrid polymer blends and hybrid polymer blend membranes that are composed of: one polymer acid halide containing SO 2 X, POX 2 or COX groups (X═F, Cl, Br, I); one elemental or metallic oxide or hydroxide, obtained by the hydrolysis and/or the sol/gel reaction of an elemental and/or organometallic compound during the membrane forming process and/or by subsequently treating the membrane in aqueous acidic, alkaline or neutral electrolytes. The invention further relates to hybrid blends and hybrid blend membranes containing polymers that carry SO 3 H, PO 3 H 2 and/or COOH groups, obtained by aqueous, alkaline or acidic hydrolysis of the polymer acid halides contained in the polymer blend or the polymer blend membrane. The invention also relates to methods for producing the inventive hybrid blends and hybrid blend membranes.

  本发明涉及有机/无机混合聚合物混合物和混合聚合物混合膜，其由以下组成：一种聚合物酸卤化物，其中包含SO2X、POX2或COX基团（X为F、Cl、Br、I）；一种元素或金属氧化物或氢氧化物，在膜成型过程中通过元素和/或有机金属化合物的水解和/或溶胶/凝胶反应获得，或者通过在水性酸性、碱性或中性电解质中随后处理膜获得。本发明还涉及含有SO3H、PO3H2和/或COOH基团的聚合物的混合物和混合聚合物混合膜，通过对聚合物酸卤化物进行水性、碱性或酸性水解获得。本发明还涉及制备本发明的混合物和混合聚合物混合膜的方法。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting Beta-amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20040106598A1

  公开（公告）日：2004-06-03

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions that include a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及抑制β-淀粉样肽释放和/或合成的化合物，因此在治疗阿尔茨海默病方面具有用途。还公开了包括抑制β-淀粉样肽释放和/或合成的化合物的药物组合物，以及使用这种药物组合物预防和治疗阿尔茨海默病的方法。
• Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising same, and methods for inhibiting beta-Amyloid peptide release and/or its synthesis by use of such compounds
  申请人：——

  公开号：US20020111343A1

  公开（公告）日：2002-08-15

  Disclosed are compounds which inhibit &bgr;-amyloid peptide release and/or its synthesis, and, accordingly, have utility in treating Alzheimer's disease. Also disclosed are pharmaceutical compositions comprising a compound which inhibits &bgr;-amyloid peptide release and/or its synthesis as well as methods for treating Alzheimer's disease both prophylactically and therapeutically with such pharmaceutical compositions.

  本发明涉及一种抑制β-淀粉样肽释放和/或合成的化合物，因此具有治疗阿尔茨海默病的效用。本发明还涉及包含抑制β-淀粉样肽释放和/或合成的化合物的制药组合物，以及使用这种制药组合物预防和治疗阿尔茨海默病的方法。