3-(2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]-diazepin-5-yl)benzonitrile | 1238331-74-2

• 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: 3-(2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]-diazepin-5-yl)benzonitrile
• 英文别名: 5-(3-Cyanophenyl)-1H-naphtho[1,2-b][1,4]diazepin-2,4(3H,5H)-dione；3-(2,4-dioxo-1H-benzo[g][1,5]benzodiazepin-5-yl)benzonitrile
• CAS: 1238331-74-2
• 化学式: C₂₀H₁₃N₃O₂
• 分子量: 327.342
• InChiKey: YPIPGQHGKMZHRE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]-diazepin-5-yl)benzonitrile 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 溴 、 溶剂黄146 、 三乙胺 、 三苯基膦 作用下， 以 乙二醇二甲醚 为溶剂， 反应 31.0h， 生成
  参考文献：
  名称：

  Structure–Activity Relationship and Neuroprotective Activity of 1,5-Dihydro-2H-naphtho[1,2-b][1,4]diazepine-2,4(3H)-diones as P2X4 Receptor Antagonists

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01197
• 作为产物：
  描述：

  在 potassium tert-butylate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 3.0h， 生成 3-(2,4-dioxo-1,2,3,4-tetrahydro-5H-naphtho[1,2-b][1,4]-diazepin-5-yl)benzonitrile
  参考文献：
  名称：

  Structure–Activity Relationship and Neuroprotective Activity of 1,5-Dihydro-2H-naphtho[1,2-b][1,4]diazepine-2,4(3H)-diones as P2X4 Receptor Antagonists

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01197

文献信息

• NOVEL POLYMERIZABLE MONOMER, AND MATERIAL FOR ORGANIC DEVICE, HOLE INJECTION/TRANSPORT MATERIAL, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT EACH COMPRISING POLYMER (POLYMERIC COMPOUND) OF THE POLYMERIZABLE MONOMER
  申请人：Eida Mitsuru

  公开号：US20110315964A1

  公开（公告）日：2011-12-29

  A polymerizable monomer represented by the following formula (1) wherein at least one of Ar 1 to Ar 3 is substituted by a group represented by the following formula (2) and which is substituted by one or more groups comprising a polymerizable functional group. Ar 1 to Ar 3 are a substituted or unsubstituted aryl group having 6 to 40 ring carbon atoms, Ar 6 is a substituted or unsubstituted aryl group having 6 to 40 ring carbon atoms and Ar 4 and Ar 5 are a substituted or unsubstituted arylene group having 6 to 40 ring carbon atoms.

  由以下公式（1）表示的可聚合单体，其中Ar1至Ar3中的至少一个被以下公式（2）表示的基团取代，并且被一个或多个包含聚合功能基团的基团取代。Ar1至Ar3是具有6至40个环碳原子的取代或未取代芳基，Ar6是具有6至40个环碳原子的取代或未取代芳基，Ar4和Ar5是具有6至40个环碳原子的取代或未取代芳亚基。
• [EN] NOVEL CYTOTOXIC AGENTS THAT PREFERENTIALLY TARGET LEUKEMIA INHIBITORY FACTOR (LIF) FOR THE TREATMENT OF MALIGNANCIES AND AS NEW CONTRACEPTIVE AGENTS<br/>[FR] NOUVEAUX AGENTS CYTOTOXIQUES QUI CIBLENT PRÉFÉRENTIELLEMENT LE FACTEUR D'INHIBITION DE LA LEUCÉMIE (LIF) POUR LE TRAITEMENT DE TUMEURS MALIGNES ET COMME NOUVEAUX AGENTS CONTRACEPTIFS
  申请人：EVESTRA INC

  公开号：WO2016154203A1

  公开（公告）日：2016-09-29

  Described herein are new anti-cancer compounds and methods of using such compounds, acting through a new mechanism of action by simultaneous inhibition of leukemia inhibitory factor (LIF) and MDM2. In one embodiment, a cytotoxic compound has the structure (I) or (II). In an embodiment, a method of treating cancer in a subject comprising administering to a subject a medicament comprising an effective amount of a cytotoxic small molecule compound that inhibits leukemia inhibitory factor or leukemia inhibitory factor receptor.

  本文介绍了新的抗癌化合物和使用这些化合物的方法，通过同时抑制白血病抑制因子（LIF）和MDM2的新作用机制起作用。 在一种实施例中，细胞毒性化合物具有结构（I）或（II）。 在一种实施例中，一种治疗患者癌症的方法包括向患者施用含有效量的细胞毒性小分子化合物的药物，该化合物抑制白血病抑制因子或白血病抑制因子受体。
• LIF/LIFR ANTAGONIST IN ONCOLOGY AND NONMALIGNANT DISEASES
  申请人：Evestra, Inc.

  公开号：US20200087340A1

  公开（公告）日：2020-03-19

  Described herein are methods of using compounds that inhibit leukemia inhibitory factor (LIF) and/or block of the leukemia inhibitory factor receptor for treatment of liver fibrosis, proliferation of spinal tumors, and in combination therapy with an immunotherapeutic agent.

  本文描述了使用抑制白血病抑制因子（LIF）和/或阻断白血病抑制因子受体的化合物治疗肝纤维化、脊髓肿瘤增生以及与免疫治疗剂联合治疗的方法。
• Diazepinedione derivative
  申请人：Nippon Chemiphar Co., Ltd.

  公开号：US08778933B2

  公开（公告）日：2014-07-15

  A diazepinedione derivative represented by the formula (I) or a pharmacologically acceptable salt thereof is used as a P2X4 receptor antagonist: wherein R1 represents a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, or the like, R2 and R3 represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, a halogen atom, or the like, R4 and R5 represent a hydrogen atom, an alkyl group having 1 to 8 carbon atoms, or the like, and W represents tetrazole or the like.

  公式（I）所代表的一种二氮杂环二酮衍生物或其药学上可接受的盐被用作P2X4受体拮抗剂：其中R1代表氢原子，1至8个碳原子的烷基或类似物，R2和R3代表氢原子，1至8个碳原子的烷基，卤素原子或类似物，R4和R5代表氢原子，1至8个碳原子的烷基或类似物，W代表四唑或类似物。
• Cytotoxic agents that preferentially target leukemia inhibitory factor (LIF) for the treatment of malignancies and as new contraceptive agents
  申请人：Evestra, Inc.

  公开号：US10053485B2

  公开（公告）日：2018-08-21

  Described herein are new anti-cancer compounds and methods of using such compounds, acting through a new mechanism of action by simultaneous inhibition of leukemia inhibitory factor (LIF) and MDM2.

  本文描述了新的抗癌化合物和使用这些化合物的方法，它们通过同时抑制白血病抑制因子（LIF）和 MDM2 的新作用机制发挥作用。