3-[(4E)-4-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-[(4E)-4-[[4-(5-chloro-3,4-dihydropyrazol-2-yl)phenyl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoic acid
• 化学式: C₂₁H₁₇ClN₄O₃
• 分子量: 408.8
• InChiKey: ITOCAUBRQCPMNF-WOJGMQOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  85.6
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• Detection and Treatment of Schizophrenia
  申请人：Itokawa Masanari

  公开号：US20110028470A1

  公开（公告）日：2011-02-03

  The present invention provides a method for diagnosing schizophrenia, and a schizophrenia diagnostic reagent or device for use in the method. The present invention further provides a therapeutic or ameliorating agent for schizophrenia, which is effective for the treatment or amelioration of schizophrenia. The therapeutic or ameliorating agent for schizophrenia contains a carbonyl scavenger or a carbonyl-modified protein formation inhibitor as an active ingredient. The method for diagnosing schizophrenia according to the present invention includes measuring at least one parameter in a subject, the parameter being selected from the group consisting of: (1) a genetic abnormality of glyoxalase I gene; (2) the expression level or activity of glyoxalase I in a biological sample; (3) the amount of a carbonyl compound or a carbonyl-modified protein that is a protein modified with the carbonyl compound; and (4) the amount of pyridoxal in a biological sample.

  本发明提供了一种用于诊断精神分裂症的方法，以及用于该方法的精神分裂症诊断试剂或设备。本发明进一步提供了一种治疗或改善精神分裂症的药剂，该药剂对于治疗或改善精神分裂症有效。用于治疗或改善精神分裂症的药剂包含醛固定剂或醛修饰蛋白形成抑制剂作为活性成分。根据本发明的诊断精神分裂症的方法包括在受试者中测量至少一个参数，所述参数选自以下组合：（1）甘氧化酶I基因的遗传异常；（2）生物样本中甘氧化酶I的表达水平或活性；（3）蛋白质中醛化合物或经醛化合物修饰的蛋白质的量；以及（4）生物样本中吡哆醛的量。
• Inhibitor of protein modification products formation
  申请人：Miyata Toshio

  公开号：US20070123577A1

  公开（公告）日：2007-05-31

  [PROBLEMS] To provide a inhibitor of protein modification products formation capable of inhibiting of vitamin B6 deficiency disease as a side effect, especially a renal protective agent. [MEANS FOR SOLVING PROBLEMS] There is provided a use, as an active ingredient, of any of free or salt-form compounds of either of the formulae: (I) (II) [wherein R1 is substituted or unsubstituted aromatic ring; and each of R2, R3 and R4 is a hydrogen atom or monovalent organic group, or alternatively R2 and R3 cooperate to form a condensed ring or R3 and R4 cooperate to represent a divalent organic group, provided that R3 and R4 are not simulataneously hydrogen atoms].

  【问题】提供一种蛋白质修饰产物形成的抑制剂，能够抑制维生素B6缺乏病作为副作用，特别是一种肾脏保护剂。 【解决问题的方法】提供一种使用任何自由或盐形式的化合物作为活性成分，其中化合物的公式为(I)或(II)： （I）（II） 其中，R1是取代或未取代的芳香环；R2、R3和R4中的每一个是氢原子或一价有机基团，或者R2和R3合作形成一个缩环，或者R3和R4合作表示一个二价有机基团，但要求R3和R4不能同时为氢原子。
• PROTEIN MODIFIER PRODUCTION INHIBITOR
  申请人：TOKAI UNIVERSITY EDUCATIONAL SYSTEM

  公开号：EP1693369A1

  公开（公告）日：2006-08-23

  [PLOBLEMS] To provide a inhibitor of protein modification products formation capable of inhibiting of vitamin B6 deficiency disease as a side effect, especially a renal protective agent. [MEANS FOR SOLVING PROBLEMS] There is provided a use, as an active ingredient, of any of free or salt-form compounds of either of the formulae: (I) (II) [wherein R1 is substituted or unsubstituted aromatic ring; and each of R2, R3 and R4 is a hydrogen atom or monovalent organic group, or alternatively R2 and R3 cooperate to form a condensed ring or R3 and R4 cooperate to represent a divalent organic group, provided that R3 and R4 are not simulataneously hydrogen atoms].

  [问题] 提供一种能够抑制蛋白质修饰产物形成的抑制剂，作为一种副作用，它能够抑制维 生素 B6 缺乏症，特别是一种肾脏保护剂。[解决问题的方法] 本发明提供了以下式中任何一种游离或盐形式化合物作为活性成分的用途：(I) (II) [其中 R1 是取代或未取代的芳环；R2、R3 和 R4 各为氢原子或一价有机基团，或者 R2 和 R3 配合形成缩合环，或者 R3 和 R4 配合代表二价有机基团，但 R3 和 R4 不能同时为氢原子]。
• DETECTION AND TREATMENT OF SCHIZOPHRENIA
  申请人：TOKAI UNIVERSITY EDUCATIONAL SYSTEM

  公开号：EP2189537A1

  公开（公告）日：2010-05-26

  The present invention provides a method for diagnosing schizophrenia, and a schizophrenia diagnostic reagent or device for use in the method. The present invention further provides a therapeutic or ameliorating agent for schizophrenia, which is effective for the treatment or amelioration of schizophrenia. The therapeutic or ameliorating agent for schizophrenia contains a carbonyl scavenger or a carbonyl-modified protein formation inhibitor as an active ingredient. The method for diagnosing schizophrenia according to the present invention includes measuring at least one parameter in a subject, the parameter being selected from the group consisting of: (1) a genetic abnormality of glyoxalase I gene; (2) the expression level or activity of glyoxalase I in a biological sample; (3) the amount of a carbonyl compound or a carbonyl-modified protein that is a protein modified with the carbonyl compound; and (4) the amount of pyridoxal in a biological sample.

  本发明提供了一种诊断精神分裂症的方法，以及一种用于该方法的精神分裂症诊断试剂或装置。本发明进一步提供了一种治疗或改善精神分裂症的药剂，该药剂可有效治疗或改善精神分裂症。精神分裂症的治疗剂或改善剂含有羰基清除剂或羰基修饰蛋白形成抑制剂作为活性成分。根据本发明的诊断精神分裂症的方法包括测量受试者体内的至少一个参数，该参数选自由以下组成的组：(1)乙二醛酶I基因的遗传异常；(2)生物样本中乙二醛酶I的表达水平或活性；(3)羰基化合物或羰基修饰蛋白的量，该蛋白是用羰基化合物修饰的蛋白；(4)生物样本中吡哆醛的量。
• Detection and treatment of schizophrenia
  申请人：TOKAI UNIVERSITY EDUCATIONAL SYSTEM

  公开号：EP2662453A2

  公开（公告）日：2013-11-13

  The present invention relates to a method for diagnosing schizophrenia comprising measuring at least one parameter in a subject, the parameter being selected from the group consisting of (1) a genetic abnormality of glyoxalase I gene, (2) the expression level or activity of glyoxalase I in a biological sample, (3) the amount of a carbonyl-modified protein that is a protein modified with the carbonyl-compound, preferably pentosidine, in a biological sample, and (4) the amount of pyridoxal in a biological sample. The present further relates to a primer, a probe and a reagent for use in said method, as well as an AGE-reader and its use for measuring the amount of carbonyl-modified proteins.

  本发明涉及一种诊断精神分裂症的方法，该方法包括测量受试者体内的至少一个参数，该参数选自以下组别：(1)乙二醛酶 I 基因的遗传异常；(2)生物样本中乙二醛酶 I 的表达水平或活性；(3)生物样本中羰基修饰蛋白质的量，该蛋白质是用羰基化合物（最好是喷托西啶）修饰的蛋白质；(4)生物样本中吡哆醛的量。本发明还涉及一种用于上述方法的引物、探针和试剂，以及一种 AGE 读取器及其在测量羰基修饰蛋白质量时的用途。