2H-1,4-benzodiazepin-2-one | 52202-87-6

• 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: 2H-1,4-benzodiazepin-2-one
• 英文别名: benzodiazepin-2-on；1,4-benzodiazepin-2-one；1,4-benzodiazepinone；1,4-benzodiazepine-2-one
• CAS: 52202-87-6
• 化学式: C₉H₆N₂O
• 分子量: 158.159
• InChiKey: RGGLEJFUEMKQSH-UHFFFAOYSA-N

物化性质

• 熔点：
  155-159 °C
• 沸点：
  368.9±25.0 °C(Predicted)
• 密度：
  1.24±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  41.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2H-1,4-benzodiazepin-2-one 在 劳森试剂 作用下， 以 吡啶 为溶剂， 生成 benzodiazepine-2-thione
  参考文献：
  名称：

  用Lawesson试剂改性有机化合物

  摘要：

  Lawesson试剂2,4-双（4-甲氧基苯基）-1,3,2,4-二硫代二膦环-2,4-二硫化物在有机合成中的应用为羰基中的硫原子取代氧原子提供了可能性在醚基团中的一组酮，酯，酰胺，还可以诱导含有或不含有硫原子的有机化合物的初始结构重排，或导致形成各种类型的有机磷化合物。形成的有机硫化合物表现出广泛的生物学作用。

  DOI：

  10.1134/s1070428015020025
• 作为产物：
  描述：

  2-propanolic ammonia 、 7-[chloro(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-5-(3-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one 在 二氯甲烷 、 magnesium sulfate 、 residue 、 silica gel 、 Dichloromethane methanol ammonium hydroxide 、 乙腈 、 乙醚 、 7-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-5-(3-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one 作用下， 以 四氢呋喃 为溶剂， 反应 0.5h， 以yielding 1.8 g (48%) of 2H-1,4-benzodiazepin-2-one, 7-[amino(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methyl]-5-(3-chlorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one, mp. 213° C.的产率得到2H-1,4-benzodiazepin-2-one
  参考文献：
  名称：

  Farnesyl transferase inhibiting benzoheterocyclic derivatives

  摘要：

  本发明涉及一种新型化合物，其化学式为(I)1，其中r，s，t，X，Z，R1，R2，R3，R4，R5，R6和R7具有定义的含义，具有法尼酰转移酶抑制活性；其制备方法，含有它们的组合物以及它们作为药物的用途。

  公开号：

  US20040034218A1

文献信息

• [EN] BIARYLRHODANINE AND PYRIDYLRHODANINE COMPOUNDS AND THEIR USE<br/>[FR] COMPOSÉS DE BIARYLRHODANINE ET DE PYRIDYLRHODANINE ET LEUR UTILISATION
  申请人：AGENCY SCIENCE TECH & RES

  公开号：WO2010024783A1

  公开（公告）日：2010-03-04

  The present invention pertains generally to the field of therapeutic compounds, and more specifically to compounds related to rhodanine, which compounds are inter alia inhibitors and/or binders of antiapoptotic/pro-survival Bcl-2 proteins such as Bcl-XL and/or Mcl-1. More specifically, the present invention is concerned with Rhodanine- based Pan-Bcl-2 inhibitors and Mcl-1 -specific inhibitors as anti-cancer compounds. The present invention also pertains to pharmaceutical compositions comprising such compounds, and the use of such compounds and compositions, both in vitro and in vivo, to inhibit and/or bind Bcl-2 proteins such as Bcl-XL and/or Mcl-1, and in the treatment of diseases and conditions that are mediated by Bcl-2 proteins, that are ameliorated by the inhibition of Bcl-2 protein function (such as Bcl-XL and/or Mcl-1 ) including proliferative conditions such as cancer, optionally in combination with another agent.

  本发明一般涉及治疗化合物领域，更具体地涉及与罗丹宁相关的化合物，这些化合物是抑制剂和/或结合剂，用于抑制和/或结合抗凋亡/促存活的Bcl-2蛋白，如Bcl-XL和/或Mcl-1。更具体地，本发明涉及基于罗丹宁的Pan-Bcl-2抑制剂和Mcl-1特异性抑制剂作为抗癌化合物。本发明还涉及包括这些化合物的药物组合物，以及在体外和体内使用这些化合物和组合物来抑制和/或结合Bcl-2蛋白，如Bcl-XL和/或Mcl-1，并用于治疗由Bcl-2蛋白介导的疾病和症状，通过抑制Bcl-2蛋白功能（如Bcl-XL和/或Mcl-1）改善的疾病和症状，包括增殖性疾病如癌症，可选择地与另一药剂联合使用。
• 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。
• CHELATE NANOEMULSION FOR MRI
  申请人：Port Marc

  公开号：US20130309176A1

  公开（公告）日：2013-11-21

  The present invention relates to an oil-in-water nanoemulsion composition for MRI, comprising: an aqueous phase, representing 70% to 90% by weight of the composition, advantageously 75% to 85% and more advantageously from 78% to 82% a lipid phase comprising an oil, representing 9.5% to 29.5% by weight of the composition, advantageously 14% to 25% and more advantageously 17% to 21%, a surfactant at the interface between the aqueous and lipid phases, the surfactant comprising at least one amphiphilic paramagnetic metal chelate and optionally an amphiphilic lipid; the total content of surfactant by weight relative to the oil being between 4% and 10% and advantageously between 5% and 8%; the total content of surfactant by weight relative to the composition being between 0.35% and 2.95% and advantageously between 0.5% and 2%; the oil comprising at least 70%, advantageously at least 80%, advantageously at least 95% by weight and especially at least 97% of saturated C6-C18, advantageously C6-C14 and more advantageously C6-C10 fatty acids.

  本发明涉及一种用于磁共振成像的油包水纳米乳液组合物，包括： 水相，表示组合物重量的70%至90%，优选75%至85%，更优选78%至82%； 脂相包括一种油，表示组合物重量的9.5%至29.5%，优选14%至25%，更优选17%至21%； 表面活性剂位于水相和脂相之间的界面上，表面活性剂包括至少一种两性磁性金属螯合物和可选的两性脂质； 相对于油的重量，表面活性剂的总含量在4%至10%之间，优选在5%至8%之间； 相对于组合物的重量，表面活性剂的总含量在0.35%至2.95%之间，优选在0.5%至2%之间； 油包括至少70%，优选至少80%，优选至少95%的饱和C6-C18，优选C6-C14，更优选C6-C10脂肪酸。
• [EN] SUBSTITUTED SULFONAMIDES USEFUL AS ANTIAPOPTOTIC BCL INHIBITORS<br/>[FR] SULFONAMIDES SUBSTITUÉS UTILES COMME INHIBITEURS DE BCL ANTI-APOPTOTIQUES
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2012162365A1

  公开（公告）日：2012-11-29

  Disclosed are compounds of Formula (I), or a pharmaceutically acceptable salt thereof, wherein: W and Q and G are defined herein. Also disclosed are methods of using such compounds as inhibitors of Bcl-2 family antiapoptotic proteins for the treatment of cancer; and pharmaceutical compositions comprising such compounds.

  揭示了式（I）的化合物或其药学上可接受的盐，其中：W、Q和G在此处被定义。还揭示了将这些化合物用作Bcl-2家族抗凋亡蛋白的抑制剂以治疗癌症的方法；以及包含这些化合物的药物组合物。
• METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS
  申请人：TUFTS MEDICAL CENTER

  公开号：US20160052982A1

  公开（公告）日：2016-02-25

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.

  本申请提供了制备可溶性脂质化配体药剂的方法，包括配体实体和脂质实体，并在某些实施例中提供了这些组分的相关参数，从而使得能够适当选择组分来组装出针对任何感兴趣的靶点的活性药剂。