2-苯基哒嗪-3(2H)-酮 | 14135-63-8

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-苯基哒嗪-3(2H)-酮
• 英文名称: 2-Phenyl-3-pyridazinone
• 英文别名: 2-phenyl-2H-pyridazin-3-one；2-phenylpyridazin-3(2H)-one；1-Phenyl-pyridazon-(6)；2-Phenyl-2H-pyridazinon-3；2-Phenyl-2H-pyridazin-3-on；2-Phenyl-3(2H)-pyridazinon；phenylpyridazinone；2-Phenyl-3(2H)-pyridazinone；2-phenylpyridazin-3-one
• CAS: 14135-63-8
• 化学式: C₁₀H₈N₂O
• mdl: MFCD00234622
• 分子量: 172.186
• InChiKey: BFOMTEBFEFQJHY-UHFFFAOYSA-N

物化性质

• 熔点：
  109-110℃

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-苯基哒嗪-3(2H)-酮 、 对甲苯磺酰氯甲烷 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以26%的产率得到2-Phenyl-4-(toluene-4-sulfonylmethyl)-2H-pyridazin-3-one
  参考文献：
  名称：

  哒嗪中氢的取代核亲核取代

  摘要：

  哒嗪，3-哒嗪酮和3,6-哒嗪二酮易于通过氯甲基对甲苯基砜的碳负离子对氢（VNS）进行替代性亲核取代，从而形成新的碳-碳键。该反应为合成功能化哒嗪衍生物提供了一种新颖的方法。

  DOI：

  10.1016/s0040-4039(00)61286-8
• 作为产物：
  描述：

  6-chloro-2-phenylpyridazine-3(2H)-one 在 palladium on activated charcoal 、 乙醇 作用下， 生成 2-苯基哒嗪-3(2H)-酮
  参考文献：
  名称：

  杂环研究中的化学研究。6. Mitteilung。哒嗪三。CyclinschenMaleinsäure-andCitraconsäure-phenylhydrazids的衍生物

  摘要：

  研究了苯肼与马来酸酐和柠康酸酐的反应。以这种方式获得的环状苯基酰肼（1-苯基-3-羟基-6-哒唑酮）用作制备取代的1-苯基-6-哒唑酮的起始原料。其中一些具有止痛和解热活性。

  DOI：

  10.1002/hlca.19540370214

文献信息

• [EN] LOX INHIBITORS<br/>[FR] INHIBITEURS DE LOX
  申请人：THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL

  公开号：WO2020099886A1

  公开（公告）日：2020-05-22

  The disclosure relates to compounds of Formula I, or pharmaceutically acceptable salts thereof, Formula (I) as defined herein. Compounds according to Formula I are pharmacologically effective as lysyl oxidase (LOX) inhibitors and are believed to be useful in the treatment of, for instance, cancer.

  该披露涉及到公式I的化合物，或其药用盐，公式(I)如本文所定义。根据公式I的化合物在药理学上作为赖氨酸氧化酶（LOX）抑制剂具有药效，并被认为在癌症治疗中是有用的。
• Method for detecting uracil biosynthesis inhibitors and their use as herbicides
  申请人：——

  公开号：US20020058244A1

  公开（公告）日：2002-05-16

  This invention relates to a method for identifying compounds that specifically inhibit a metabolic target site or pathway in plants. Enzymes which are specifically affected by the method of the invention include plant pyrimidine biosynthetic pathway enzymes, and particularly the enzymes involved in the conversion of orotate to uridine-5′-monophosphate (UMP). Further, the invention relates to a method for control of undesirable monocotyledenous and dicotyledenous plant species.

  这项发明涉及一种识别特定抑制植物代谢靶点或途径的化合物的方法。受该发明方法特异影响的酶包括植物嘧啶生物合成途径酶，特别是参与将小嘌呤转化为尿苷-5'-磷酸（UMP）的酶。此外，该发明涉及一种控制不良单子叶和双子叶植物物种的方法。
• [EN] METHYLAMINE DERIVATIVES AS LYSYSL OXIDASE INHIBITORS FOR THE TREATMENT OF CANCER<br/>[FR] DÉRIVÉS DE LA MÉTHYLAMINE COMME INHIBITEURS DE LA LYSYL OXIDASE POUR LE TRAITEMENT DU CANCER
  申请人：THE INST OF CANCER RESEARCH: ROYAL CANCER HOSPITAL

  公开号：WO2017141049A1

  公开（公告）日：2017-08-24

  Provided are compounds of the Formula (I), or a pharmaceutically acceptable salt thereof, wherein W, X, Y, Z, x, R1, R2, R3, x and n are defined in the specification. The compounds are inhibitors of lysyl oxidase (LOX) and lysyl oxidase-like (LOXL) family members (LOXL1, LOXL2, LOXL3, LOXL4) and are useful in therapy, particularly in the treatment of cancer. Also disclosed are LOX inhibitors for use in the treatment of a cancer associated with EGFR and biomarkers that predict responsiveness to a LOX inhibitor.

  提供的是Formula (I)的化合物，或其药用可接受的盐，其中W、X、Y、Z、x、R1、R2、R3、x和n在规范中有定义。这些化合物是赖氨酸氧化酶（LOX）和赖氨酸氧化酶样（LOXL）家族成员（LOXL1、LOXL2、LOXL3、LOXL4）的抑制剂，并且在治疗中很有用，特别是在癌症治疗中。还披露了用于治疗与EGFR相关的癌症的LOX抑制剂，以及预测对LOX抑制剂响应性的生物标志物。
• Aryl ether derivatives and processes for their preparation and herbicidal and desiccant compositions containing them
  申请人：——

  公开号：US20040267014A1

  公开（公告）日：2004-12-30

  Substituted aryl ether derived compounds represented by general structure (I) are described. X and Y are independent of each other and are represented by hydrogen, halogen, cyano, nitro, (C 1-4 )alkyl, (C 1-4 )haloalkyl, or (C 1-4 )haloalkoxy; Z is oxygen or sulfur, Q is selected form Q1 to Q6; A is oxygen, sulfur, or imino; R 1 is hydrogen, (C 1-4 )alkyl, (C 1-4 )haloalkyl, or amino and can be independent of each other in a single molecule; R 2 and R 3 are independent of each other and may be selected from the group consisting of hydrogen, halogen, cyano nitro, (C 1-4 )alkyl, (C 1-4 )haloalkyl, (C 2-4 )alkenyl, (C 2-6 )haloalkenyl and amino which may be optionally substituted with (C 1-4 )alkyl or (C 1-4 )haloalkyl; Ar is substituted or unsubstituted carbocyclic or heterocyclic aromatic ring being at least a five or six membered ring. This ring can be fused with another substituted or unsubstituted five or six membered carbocyclic or heterocyclic ring. When Q is Q5, unsubstituted or substituted phenyl is excluded. Also described are the processes for the manufacture of these compounds and argiculturally suitable compositions containing these as active ingredients which are useful as herbicides for general or selective pre-emergent or post-emergent control of undesired plant species and defoliants. 1

  通过一般结构（I）表示的取代芳基醚衍生化合物已被描述。X和Y彼此独立，可表示为氢、卤素、氰基、硝基、（C1-4）烷基、（C1-4）卤代烷基或（C1-4）卤代氧基；Z为氧或硫，Q从Q1到Q6中选择；A为氧、硫或亚胺；R1为氢、（C1-4）烷基、（C1-4）卤代烷基或氨基，并且在单个分子中可以彼此独立；R2和R3彼此独立，可从氢、卤素、氰基、硝基、（C1-4）烷基、（C1-4）卤代烷基、（C2-4）烯基、（C2-6）卤代烯基和氨基中选择，这些基团可以选择性地被（C1-4）烷基或（C1-4）卤代烷基取代；Ar为取代或未取代的至少为五元或六元环的碳环或杂环芳香环。该环可以与另一个取代或未取代的五元或六元碳环或杂环芳香环融合。当Q为Q5时，排除未取代或取代的苯基。还描述了制造这些化合物的过程以及含有这些化合物作为活性成分的农业适用组合物，这些组合物可用作除草剂，用于对不受欢迎的植物物种进行一般或选择性的前期或后期控制以及落叶剂。
• [EN] LYSYL OXIDASE INHIBITORS<br/>[FR] INHIBITEURS DE LA LYSYLE OXYDASE
  申请人：THE INSTITUTE OF CANCER RES ROYAL CANCER HOSPITAL

  公开号：WO2019073251A1

  公开（公告）日：2019-04-18

  This invention relates to compounds useful as lysyl oxidase (LOX) and lysyl oxidase-like (LOXL) family member (LOXL1, LOXL2, LOXL3, LOXL4) inhibitors. In addition there are contemplated pharmaceutical compositions comprising the compounds and the use of the compounds in the treatment of conditions mediated by LOX and LOXL, for example cancer. In particular a LOX inhibitor such as the present compounds may be for use in the treatment of a cancer associated with EGFR. The present invention also contemplates the identification of biomarkers that predict responsiveness to a LOX inhibitor.

  这项发明涉及作为赖氨酸氧化酶（LOX）和赖氨酸氧化酶类（LOXL）家族成员（LOXL1、LOXL2、LOXL3、LOXL4）抑制剂有用的化合物。此外，还考虑了包括这些化合物的药物组合物以及利用这些化合物治疗由LOX和LOXL介导的疾病，例如癌症。特别是像目前的这些化合物这样的LOX抑制剂可能用于治疗与EGFR相关的癌症。本发明还考虑了预测对LOX抑制剂响应性的生物标志物的鉴定。