1-(3-methylbenzoyl)-1H-indazole-3-carbonitrile | 1448314-31-5

• 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: 1-(3-methylbenzoyl)-1H-indazole-3-carbonitrile
• 英文别名: 1-(3-Methylbenzoyl)-1H-indazole-3-carbonitrile；1-(3-methylbenzoyl)indazole-3-carbonitrile
• CAS: 1448314-31-5
• 化学式: C₁₆H₁₁N₃O
• 分子量: 261.283
• InChiKey: KRFSMLDUZFVINX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  58.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1H-吲唑-3-甲腈 、 间甲基苯甲酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以22%的产率得到1-(3-methylbenzoyl)-1H-indazole-3-carbonitrile
  参考文献：
  名称：

  作为人中性粒细胞弹性蛋白酶抑制剂的 N-苯并吲哚衍生物的优化

  摘要：

  人类中性粒细胞弹性蛋白酶 (HNE) 是治疗肺部疾病的重要治疗靶点。以前，我们将新型N-苯甲酰基吲唑衍生物鉴定为有效、竞争性和假不可逆的 HNE 抑制剂。在这里，我们报告了这些抑制剂的进一步开发，与我们之前的先导相比，这些抑制剂具有更高的效力、蛋白酶选择性和稳定性。在吲唑的 5 位引入各种取代基产生了有效的抑制剂20f (IC 50 ∼10 nM)，而在 3 位的修饰产生了该系列中最有效的化合物，即 3-CN 衍生物5b (IC 50= 7纳米）；与其他丝氨酸蛋白酶相比，这两种衍生物对 HNE 均表现出良好的稳定性和特异性。选定的N-苯甲酰基吲唑与 HNE 结合域的分子对接表明抑制活性取决于配体-酶复合物的几何形状。事实上，配体形成 Michaelis 复合物的能力以及 Hys57、Asp102 和 Ser195 之间质子转移的有利条件都会影响活性。

  DOI：

  10.1021/jm400742j

文献信息

• BLOOD TREATMENT METHOD AND BLOOD COLLECTION TUBE
  申请人：ARKRAY, Inc.

  公开号：EP3575791A1

  公开（公告）日：2019-12-04

  The method for treating collected blood to be used in a test for rare cells in blood, includes mixing the collected blood with an agent that increases the intracellular concentration of cAMP or an analogous compound thereof. The method for performing a test for rare cells in blood, includes using blood treated using the method according to the present disclosure as a blood sample to be subjected to the test.

  处理采集的血液以用于检测血液中的稀有细胞的方法包括将采集的血液与增加细胞内cAMP或其类似化合物浓度的药剂混合。进行血液中稀有细胞检测的方法，包括使用根据本公开的方法处理过的血液作为要进行检测的血样。
• Muscle regeneration
  申请人：The Research Foundation for The State University of New York

  公开号：US10874652B2

  公开（公告）日：2020-12-29

  The invention provides anelastase inhibitor for use in the promotion of muscle regeneration in the treatment of a myopathy, as well as a method for promoting muscle regeneration in a subject with a myopathy, the method comprising providing the subject with a therapeutically effective amount of an elastase inhibitor. Further provided is a pharmaceutical composition comprising anelastase inhibitor for use in the promotion of muscle regeneration in the treatment of a myopathy. Elastase inhibitors may have a protective effect on muscle progenitor cells and their regenerative potential, which aids muscle cell regeneration. By protecting regenerative potential of muscle progenitor cells, elastase inhibitors enable or enhance the grown of new or existing muscle fibres.

  本发明提供了一种在治疗肌病中用于促进肌肉再生的弹性蛋白酶抑制剂，以及一种促进肌病患者肌肉再生的方法，该方法包括向患者提供治疗有效量的弹性蛋白酶抑制剂。此外，还提供了一种药物组合物，该组合物包含一种弹性蛋白酶抑制剂，用于促进肌病治疗中的肌肉再生。弹性蛋白酶抑制剂可对肌肉祖细胞及其再生潜能产生保护作用，从而有助于肌肉细胞再生。通过保护肌肉祖细胞的再生潜能，弹性蛋白酶抑制剂可促进或增强新的或现有肌肉纤维的生长。
• MUSCLE REGENERATION
  申请人：THE UNIVERSITY OF LIVERPOOL

  公开号：US20190134014A1

  公开（公告）日：2019-05-09

  The invention provides anelastase inhibitor for use in the promotion of muscle regeneration in the treatment of a myopathy, as well as a method for promoting muscle regeneration in a subject with a myopathy, the method comprising providing the subject with a therapeutically effective amount of an elastase inhibitor. Further provided is a pharmaceutical composition comprising anelastase inhibitor for use in the promotion of muscle regeneration in the treatment of a myopathy. Elastase inhibitors may have a protective effect on muscle progenitor cells and their regenerative potential, which aids muscle cell regeneration. By protecting regenerative potential of muscle progenitor cells, elastase inhibitors enable or enhance the grown of new or existing muscle fibres.
• METHOD OF TREATMENT FOR PREVENTION OF GLUCOCORTICOID TOXICITY AND/OR ENHANCEMENT OF MUSCLE REGENERATION VIA NEUTROPHIL ELASTASE INHIBITION
  申请人：The Research Foundation for The State University of New York

  公开号：US20210315873A1

  公开（公告）日：2021-10-14

  The present disclosure is directed to methods of treatment, including treatment of a myopathy by administering to a subject in need thereof an elastase inhibitor in combination with a glucocorticoid. The present disclosure is also directed to pharmaceutical compositions that include an elastase inhibitor that can be used in such treatment.
• [EN] MUSCLE REGENERATION<br/>[FR] RÉGÉNÉRATION MUSCULAIRE
  申请人：UNIV LIVERPOOL

  公开号：WO2017194975A1

  公开（公告）日：2017-11-16

  The invention provides anelastase inhibitorfor use in the promotion of muscle regeneration in the treatment of a myopathy, as well as a method for promoting muscle regeneration in a subject with a myopathy, the method comprising providing the subject with a therapeutically effective amount of an elastase inhibitor. Further provided is a pharmaceutical composition comprising anelastase inhibitorfor use in the promotion of muscle regeneration in the treatment of a myopathy. Elastase inhibitors may have a protective effect on muscle progenitor cells and their regenerative potential, which aids muscle cellregeneration. Byprotecting regenerative potential of muscle progenitor cells, elastase inhibitors enable or enhance the grown of new or existing muscle fibres.