dibenzofuran-2-carboxylic acid hydrazide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: dibenzofuran-2-carboxylic acid hydrazide
• 英文别名: dibenzofuran-2-carbohydrazide
• 化学式: C₁₃H₁₀N₂O₂
• 分子量: 226.235
• InChiKey: VTDYJGRGKYRMHR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  68.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  dibenzofuran-2-carboxylic acid hydrazide 在 氢氧化钾 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-[4-(trans-2-biphenyl-4-yl-vinyl)-phenyl]-5-dibenzofuran-3-yl-[1,3,4]oxadiazole
  参考文献：
  名称：

  Anil-Synthese。10. Mitteilung。苯并呋喃-苯乙烯基衍生物-二苯并呋喃†

  摘要：

  希夫“血清胆碱酯酶倍欣DES二苯并呋喃-2- bzw. 在Gegenwart von Dimethylformamid和Kaliumhydroxid bzw中的-3-甲醛与对氯苯胺（Chloranilinkönnen）与对甲苯基取代的杂环和碳环的芳香化合物。Entsprechenden苯乙烯-衍生物übergeführtwerden（«Anil-Synthese»）中的叔丁基钾。

  DOI：

  10.1002/hlca.19740570402
• 作为产物：
  描述：

  二苯并呋喃-2-甲酸 在 硫酸 、 一水合肼 作用下， 以 乙醇 、 水 为溶剂， 反应 51.0h， 生成 dibenzofuran-2-carboxylic acid hydrazide
  参考文献：
  名称：

  METAL COMPLEX, COMPOSITION AND LIGHT EMITTING DEVICE

  摘要：

  提供了由式（1）表示的金属配合物。在式（1）中，X代表氮原子或由 ═C(RX)— 表示的基团；R1代表具有4个或更多碳原子的烷基基团；R2代表烷基、环烷基、烷氧基、环烷氧基、芳基、芳氧基、一价杂环基、或取代氨基或卤素原子；环A和环B各自独立地代表芳香烃环或芳香杂环；M代表铑、钯、铱或铂原子；n1代表1或更多的整数，n2代表0或更多的整数，且n1+n2为2或3；A1-G1-A2代表阴离子双齿配体；A1和A2各自独立地代表碳原子、氧原子或氮原子；G1代表单键或与A1和A2一起构成双齿配体的原子团。

  公开号：

  US20190185500A1

文献信息

• Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of neurodegenerative diseases
  申请人：Bora Martin Keenan

  公开号：US20050004167A1

  公开（公告）日：2005-01-06

  The invention relates to BCAT inhibitor compounds of formula (I) and use thereof for treating or preventing neuronal loss associated with stroke, ischemia, CNS trauma, hypoglycemia and surgery, as well as treating neurodegenerative diseases including Alzheimer's disease, amyotrophic lateral sclerosis, Huntington's disease and Down's syndrome, treating or preventing the adverse consequences of the overstimulation of the excitatory amino acids, treating anxiety, psychosis, convulsions, aminoglycoside antibiotics-induced hearing loss, migraine headache, chronic pain, neuropathic pain, Parkinson's disease, diabetic retinopathy, glaucoma, CMV retinitis, urinary incontinence, opioid tolerance or withdrawal, and inducing anesthesia, as well as for enhancing cognition.

  本发明涉及公式（I）的BCAT抑制剂化合物及其用于治疗或预防与中风、缺血、中枢神经系统创伤、低血糖和手术相关的神经元丢失，以及治疗神经退行性疾病，包括阿尔茨海默病、肌萎缩性侧索硬化症、亨廷顿病和唐氏综合症，治疗或预防兴奋性氨基酸过度刺激的不良后果，治疗焦虑、精神病、惊厥、氨基糖苷类抗生素引起的听力损失、偏头痛、慢性疼痛、神经病性疼痛、帕金森病、糖尿病视网膜病变、青光眼、巨细胞病毒性视网膜炎、尿失禁、阿片类耐受或戒断，以及诱导麻醉和增强认知功能。
• METAL COMPLEX, COMPOSITION AND LIGHT-EMITTING ELEMENT
  申请人：Sumitomo Chemical Company, Limited

  公开号：EP3438114A1

  公开（公告）日：2019-02-06

  A metal complex represented by formula (1) (wherein, X represents a nitrogen atom or a group represented by =C(RX)-; R1 represents an alkyl group having 4 or more carbon atoms; R2 represents an alkyl group, a cycloalkyl group, an alkoxy group, a cycloalkoxy group, an aryl group, an aryloxy group, a monovalent heterocyclic group, a substituted amino group, or a halogen atom; ring A and ring B each independently represent an aromatic hydrocarbon ring or an aromatic heterocyclic ring; M represents a rhodium atom, a palladium atom, an iridium atom, or a platinum atom; n1 represents an integer of 1 or more, n2 represents an integer of 0 or more, and n1 + n2 is 2 or 3; A1-G1-A2 represents an anionic bidentate ligand; A1 and A2 each independently represent a carbon atom, an oxygen atom, or a nitrogen atom; G1 represents a single bond or an atomic group constituting a bidentate ligand together with A1 and A2).

  由式（1）表示的金属配合物 其中 X 代表氮原子或由 =C(RX)- 代表的基团； R1 代表具有 4 个或更多碳原子的烷基； R2 代表烷基、环烷基、烷氧基、环烷氧基、芳基、芳氧基、单价杂环基、取代氨基或卤素原子； 环 A 和环 B 各自独立地代表芳香烃环或芳香杂环； M 代表铑原子、钯原子、铱原子或铂原子； n1 代表 1 或以上的整数，n2 代表 0 或以上的整数，n1 + n2 为 2 或 3； A1-G1-A2 代表阴离子双齿配体； A1 和 A2 各自独立地代表一个碳原子、一个氧原子或一个氮原子； G1 代表单键或与 A1 和 A2 一起构成双叉配体的原子团）。
• LIGHT-EMITTING DEVICE
  申请人：Sumitomo Chemical Company Limited

  公开号：EP3691416A1

  公开（公告）日：2020-08-05

  A light emitting device having an anode, a cathode, a first organic layer and a second organic layer, wherein the first organic layer is a layer containing a metal complex represented by the formula (1), and the second organic layer is a layer containing a metal complex represented by the formula (2) and the like: [M1 represents an iridium atom and the like; n1 represents an integer of 1 or more; n2 represents an integer of 0 or more; Ring R1A represents a triazole ring and the like; Ring R2 represents an aromatic hydrocarbon ring and the like; E1, E2 and E11A to E13A represent a nitrogen atom or a carbon atom; R11A to R13A represent a substituent and the like; A1-G1-A2 represents a bidentate ligand. At least one of E11A to E13A is a nitrogen atom, and at least one of R11A to R13A bonding to the nitrogen atom is a group represented by the formula (Ar-1A).] [Ring A represents an aromatic hydrocarbon ring and the like; R2 represents a substituent and the like.] [M2 represents an iridium atom and the like; n3 represents an integer of 1 or more; n4 represents an integer of 0 or more; EL represents a carbon atom and the like; Ring L1 represents a 6-membered aromatic hetero ring; Ring L2 represents an aromatic hydrocarbon ring and the like; A3-G2-A4 represents a bidentate ligand.].

  一种具有阳极、阴极、第一有机层和第二有机层的发光器件，其中第一有机层是含有由式（1）表示的金属络合物的层，第二有机层是含有由式（2）表示的金属络合物的层等： [M1 代表铱原子等；n1 代表 1 或 1 以上的整数；n2 代表 0 或 0 以上的整数；环 R1A 代表三唑环等；环 R2 代表芳香烃环等；E1、E2 和 E11A 至 E13A 代表氮原子或碳原子；R11A 至 R13A 代表取代基等；A1-G1-A2 代表双齿配体。E11A至E13A中至少有一个是氮原子，与氮原子键合的R11A至R13A中至少有一个是式(Ar-1A)所代表的基团。］ [环 A 代表芳香烃环等；R2 代表取代基等。］ [M2 代表铱原子等；n3 代表 1 或 1 以上的整数；n4 代表 0 或 0 以上的整数；EL 代表碳原子等；环 L1 代表 6 元芳香杂环；环 L2 代表芳香烃环等；A3-G2-A4 代表双齿配体。］
• COMPOSITION AND LIGHT-EMITTING DEVICE USING SAME
  申请人：Sumitomo Chemical Company Limited

  公开号：EP3689887A1

  公开（公告）日：2020-08-05

  A composition comprising a metal complex represented by the formula (1) and a metal complex represented by the formula (2): [wherein, M1 represents an iridium atom and the like; n1 represents an integer of 1 or more; n2 represents an integer of 0 or more; Ring R1A represents a triazole ring and the like; Ring R2 represents an aromatic hydrocarbon ring and the like; R11A to R13A are each a hydrogen atom or a substituent; A1-G1-A2 represents an anionic bidentate ligand. At least one of E11A to E13A is a nitrogen atom, and at least one of R11A to R13A bonding to the nitrogen atom is a group represented by the formula (Ar-1A).] [wherein, Ring A represents an aromatic hydrocarbon ring and the like; R2 represents a substituent.] [wherein, M2 represents an iridium atom and the like; n3 represents an integer of 1 or more; n4 represents an integer of 0 or more; EL represents a carbon atom and the like; Ring L1 represents a 6-membered aromatic hetero ring; Ring L2 represents an aromatic hydrocarbon ring and the like; A3-G2-A4 represents an anionic bidentate ligand. At least one of Ring L1 and Ring L2 has a group represented by the formula (1-T).]         -R1T     (1-T) [wherein, R1T represents a substituent.].

  一种由式（1）代表的金属络合物和式（2）代表的金属络合物组成的组合物： [其中，M1 代表铱原子等；n1 代表 1 或 1 以上的整数；n2 代表 0 或 0 以上的整数；环 R1A 代表三唑环等；环 R2 代表芳香烃环等；R11A 至 R13A 各为氢原子或取代基；A1-G1-A2 代表阴离子双齿配体。E11A至E13A中至少有一个是氮原子，与氮原子键合的R11A至R13A中至少有一个是式(Ar-1A)所代表的基团。］ [其中，环 A 代表芳香烃环等；R2 代表取代基。］ [其中，M2 代表铱原子等；n3 代表 1 或 1 以上的整数；n4 代表 0 或 0 以上的整数；EL 代表碳原子等；环 L1 代表 6 元芳香杂环；环 L2 代表芳香烃环等；A3-G2-A4 代表阴离子双齿配体。环 L1 和环 L2 中至少有一个具有式 (1-T) 所代表的基团。］ -R1T (1-T) [其中，R1T 代表取代基。］
• The design and synthesis of human branched-chain amino acid aminotransferase inhibitors for treatment of neurodegenerative diseases
  作者：Lain-Yen Hu、Peter A. Boxer、Suzanne R. Kesten、Huangshu J. Lei、David J. Wustrow、David W. Moreland、Liming Zhang、Kay Ahn、Todd R. Ryder、Xiaohong Liu、John R. Rubin、Kelly Fahnoe、Richard T. Carroll、Satavisha Dutta、Douglass C. Fahnoe、Albert W. Probert、Robin L. Roof、Michael F. Rafferty、Catherine R. Kostlan、Jeffrey D. Scholten、Molly Hood、Xiao-Dan Ren、Gerald P. Schielke、Ti-Zhi Su、Charles P. Taylor、Anil Mistry、Patrick McConnell、Charles Hasemann、Jeffrey Ohren

  DOI：10.1016/j.bmcl.2005.07.058

  日期：2006.5

  The inhibition of the cytosolic isoenzyme BCAT that is expressed specifically in neuronal tissue is likely to be useful for the treatment of neurodegenerative and other neurological disorders where glutamatergic mechanisms are implicated. Compound 2 exhibited an IC50 of 0.8 microM in the hBCATc assays; it is an active and selective inhibitor. Inhibitor 2 also blocked calcium influx into neuronal cells following inhibition of glutamate uptake, and demonstrated neuroprotective efficacy in vivo. SAR, pharmacology, and the crystal structure of hBCATc with inhibitor 2 are described.