4-溴-2-甲基-苯甲酸酰肼 | 856167-33-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-溴-2-甲基-苯甲酸酰肼
• 英文名称: 4-bromo-2-methylbenzohydrazide
• CAS: 856167-33-4
• 化学式: C₈H₉BrN₂O
• 分子量: 229.076
• InChiKey: OFDKMEFKRYIHDS-UHFFFAOYSA-N

物化性质

• 密度：
  1.533±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-溴-2-甲基-苯甲酸酰肼 在 吡啶 、 乙酸酐 、 sodium carbonate 、 乙二醇 作用下， 生成 2,2'-dimethyl-cis-stilbene-dicarbonitrile-(4.4')
  参考文献：
  名称：

  134.试图寻找新的化学am。第七部分

  摘要：

  DOI：

  10.1039/jr9470000690
• 作为产物：
  描述：

  4-溴-2-甲基苯甲酰氯 在 肼 作用下， 生成 4-溴-2-甲基-苯甲酸酰肼
  参考文献：
  名称：

  Preparation of novel anthranilic acids as antibacterial agents. Extensive evaluation of alternative amide bioisosteres connecting the A- and the B-rings

  摘要：

  In the past few years, a significant effort has been devoted by Pharmacia toward the discovery of novel antibiotics. We have recently described the identification of an anthranilic acid lead 1 and the optimization resulting in the advanced lead 2. In this report, we describe the preparation of several selected amide bioisosteres connecting the A- and the B-rings. The E-alkene provided a rigid analog with equal potency to the corresponding amide. This indicates that the amide is not a recognition element rather acts as an appropriate spatial linker of the two important aryl A and B rings. The work here clearly demonstrates that the amide linker can be replaced with several functionalities without significant deterioration in the MIC activity. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.02.055

文献信息

• [EN] (3,4-DISUBSTITUTED)PROPANOIC CARBOXYLATES AS S1P (EDG) RECEPTOR AGONISTS<br/>[FR] CARBOXYLATES PROPANOIQUES 3,4-DISUSBSTITUES UTILISES EN TANT QU'AGONISTES DU RECEPTEUR S1P (EDG)
  申请人：MERCK & CO INC

  公开号：WO2005058848A1

  公开（公告）日：2005-06-30

  The present invention encompasses compounds of Formula A: A as well as the pharmaceutically acceptable salts thereof. The compounds are S1P1/Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖了化合物A的公式：A以及其药用可接受的盐。这些化合物是S1P1/Edg1受体激动剂，因此通过调节白细胞的运动、在次生淋巴组织中滞留淋巴细胞以及增强血管完整性而具有免疫抑制、抗炎和止血活性。该发明还涉及含有这些化合物的药物组合物以及治疗或预防的方法。
• [EN] HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL)<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES EN TANT QU'INHIBITEURS DE LA MONOACYLGLYCÉROL LIPASE (MAGL)
  申请人：HOFFMANN LA ROCHE

  公开号：WO2020207941A1

  公开（公告）日：2020-10-15

  The application relates to heterocyclic compounds of the general formula (I), compositions comprising such compounds, a process for preparing these compounds and their medical use. The compounds act as monoacylglycerol lipase (MAGL) inhibitors and are useful in the treatment of neuroinflammation, neurodegenerative diseases, pain, cancer or mental disorders.

  该申请涉及一类通式为(I)的杂环化合物，包含这些化合物的组合物，这些化合物的制备方法以及它们的医疗用途。这些化合物作为单酰基甘油脂肪酶（MAGL）抑制剂，可用于治疗神经炎症、神经退行性疾病、疼痛、癌症或精神障碍。
• (3,4-Disubstituted)Propanoic Carboxylates as Sip (Edg) Receptor Agonists
  申请人：Colandrea Vincent J.

  公开号：US20080249093A1

  公开（公告）日：2008-10-09

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts thereof. The compounds are S1P 1 /Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖以下I式化合物及其药学上可接受的盐。这些化合物是S1P1 / Edg1受体激动剂，因此通过调节白细胞的转移，将淋巴细胞隔离在二级淋巴组织中，并增强血管完整性，具有免疫抑制，抗炎和止血活性。本发明还涉及含有这些化合物的制药组合物和治疗或预防的方法。
• (3,4-disubstituted)propanoic carboxylates as S1P (Edg) receptor agonists
  申请人：Merck & Co., Inc.

  公开号：US07605171B2

  公开（公告）日：2009-10-20

  The present invention encompasses compounds of Formula I: as well as the pharmaceutically acceptable salts thereof. The compounds are S1P1/Edg1 receptor agonists and thus have immunosuppressive, anti-inflammatory and hemostatic activities by modulating leukocyte trafficking, sequestering lymphocytes in secondary lymphoid tissues, and enhancing vascular integrity. The invention is also directed to pharmaceutical compositions containing such compounds and methods of treatment or prevention.

  本发明涵盖公式I的化合物及其药学上可接受的盐。这些化合物是S1P1 / Edg1受体激动剂，因此通过调节白细胞转移，将淋巴细胞隔离在二级淋巴组织中并增强血管完整性，具有免疫抑制、抗炎和止血活性。本发明还涉及含有这种化合物的制药组合物和治疗或预防的方法。
• FATTY ACID SYNTHASE INHIBITORS
  申请人：Adams Nicholas D.

  公开号：US20130172384A1

  公开（公告）日：2013-07-04

  This invention relates to the use of triazolone and triazolethione derivatives for the modulation, notably the inhibition of the activity or function of fatty acid synthase (FAS). Suitably, the present invention relates to the use of triazolones and triazolethiones in the treatment of cancer.

  本发明涉及三唑酮和三唑硫醇衍生物的使用，用于调节，尤其是抑制脂肪酸合成酶（FAS）的活性或功能。适当地，本发明涉及三唑酮和三唑硫醇在治疗癌症方面的应用。