1-乙酰基-2-(4-硝基苯甲酰)肼 | 22816-00-8

• 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: 1-乙酰基-2-(4-硝基苯甲酰)肼
• 英文名称: N'-acetyl-4'-nitrobenzohydrazide
• 英文别名: N'-acetyl-4-nitrobenzohydrazide；N-acetyl-N'-(4-nitro-benzoyl)-hydrazine；4-nitro-benzoic acid N'-acetyl-hydrazide；N-Acetyl-N'-(4-nitro-benzoyl)-hydrazin；4-nitro-benzoic acid N'-acetyl-hydrazide
• CAS: 22816-00-8
• 化学式: C₉H₉N₃O₄
• mdl: MFCD00447696
• 分子量: 223.188
• InChiKey: UGBLEARQDSFEGM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.111
• 拓扑面积：
  104
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2928000090

反应信息

• 作为反应物：
  描述：

  1-乙酰基-2-(4-硝基苯甲酰)肼 以 六甲基磷酰三胺 为溶剂， 反应 0.01h， 生成 2-甲基-5-(4-硝基苯基)-1,3,4-噁二唑
  参考文献：
  名称：

  2,5-二取代-1,3,4-恶二唑的快速方便的一锅法合成

  摘要：

  摘要 报道了一种方便的单锅法，通过在 HMPA 溶剂中在微波加热下将单芳基酰肼与酰氯缩合来合成各种 2,5-二取代-1,3,4-恶二唑。收率从好到极好，过程快速，无需添加任何酸催化剂或脱水剂。

  DOI：

  10.1081/scc-120021845
• 作为产物：
  描述：

  4-硝基苯甲酰氯 在 N,N-二甲基乙酰胺 、 一水合肼 作用下， 以 甲醇 为溶剂， 反应 6.5h， 生成 1-乙酰基-2-(4-硝基苯甲酰)肼
  参考文献：
  名称：

  Synthesis and methemoglobinemia-inducing properties of benzocaine isosteres designed as humane rodenticides

  摘要：

  A number of isosteres (oxadiazoles, thiadiazoles, tetrazoles and diazines) of benzocaine were prepared and evaluated for their capacity to induce methemoglobinemia-with a view to their possible application as humane pest control agents. It was found that an optimal lipophilicity for the formation of methemoglobin (metHb) in vitro existed within each series, with 1,2,4-oxadiazole 3 (metHb% = 61.0 +/- 3.6) and 1,3,4-oxadiazole 10 (metHb% = 52.4 +/- 0.9) demonstrating the greatest activity. Of the 5 candidates (compounds 3, 10, 11, 13 and 23) evaluated in vivo, failure to induce a lethal end-point at doses of 120 mg/kg was observed in all cases. Inadequate metabolic stability, particularly towards hepatic enzymes such as the CYPs, was postulated as one reason for their failure. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2014.02.013

文献信息

• BMP-SIGNAL-INHIBITING COMPOUND
  申请人：RIKEN

  公开号：US20190337926A1

  公开（公告）日：2019-11-07

  The present invention relates to novel and excellent small-molecule-corn pounds that specifically antagonize BMP signal pathways, and these compounds can be used to modulate cell growth, differentiation, proliferation, and apoptosis, and thus can be used to treat diseases or pathological symptoms related to BMP signal pathway including inflammation, cardiovascular diseases, hematopoietic diseases, cancer, osteodystrophia, or the like, particularly, fibrodysplasia ossificans progressiva, and the present invention relates to provision of a pharmaceutical and pharmacological agent used for specifically antagonizing the BMP signal pathways and acting on the BMP signal pathways in the prevention and treatment or experimental application since the compounds can be beneficial for regulating cell differentiation and/or cell proliferation.

  本发明涉及一种新颖且优秀的小分子化合物，可以特异性拮抗BMP信号通路，这些化合物可用于调节细胞生长、分化、增殖和凋亡，因此可用于治疗与BMP信号通路相关的疾病或病理症状，包括炎症、心血管疾病、造血系统疾病、癌症、骨发育不良等，特别是纤维性骨化进行性疾病。本发明涉及提供一种用于特异性拮抗BMP信号通路并作用于BMP信号通路的药物和药理剂，用于预防和治疗或实验应用，因为这些化合物有助于调节细胞分化和/或细胞增殖。
• NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE
  申请人：Sundaresan Kumar

  公开号：US20090239848A1

  公开（公告）日：2009-09-24

  The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A去饱和酶抑制剂的哌嗪衍生物。该发明还涉及制备这些化合物的方法、含有这些化合物的组合物，以及使用这些化合物进行治疗的方法。
• [EN] ANTI-INFECTIVE COMPOUNDS<br/>[FR] COMPOSÉS ANTI-INFECTIEUX
  申请人：PASTEUR INSTITUT KOREA

  公开号：WO2015193506A1

  公开（公告）日：2015-12-23

  The present invention relates to small molecule compounds having the general formula (I): wherein A is a moiety selected from the group consisting of formulae (A) to (K) and their use in the treatment of bacterial infections, in particular Tuberculosis.

  本发明涉及具有通式（I）的小分子化合物，其中A是从式（A）到（K）组成的基团之一，并且其在治疗细菌感染，特别是结核病中的用途。
• Piperazine derivatives as inhibitors of stearoyl-CoA desaturase
  申请人：Forest Laboratories Holdings Limited

  公开号：US08039463B2

  公开（公告）日：2011-10-18

  The present invention relates to piperazine derivatives that act as inhibitors of stearoyl-CoA desaturase. The invention also relates to methods of preparing the compounds, compositions containing the compounds, and to methods of treatment using the compounds.

  本发明涉及作为硬脂酰辅酶A脱饱和酶抑制剂的哌嗪衍生物。本发明还涉及制备该化合物的方法，含有该化合物的组合物，以及使用该化合物的治疗方法。
• BMP-signal-inhibiting compound
  申请人：RIKEN

  公开号：US10954216B2

  公开（公告）日：2021-03-23

  The present invention relates to novel and excellent small-molecule-compounds that specifically antagonize BMP signal pathways, and these compounds can be used to modulate cell growth, differentiation, proliferation, and apoptosis, and thus can be used to treat diseases or pathological symptoms related to BMP signal pathway including inflammation, cardiovascular diseases, hematopoietic diseases, cancer, osteodystrophia, or the like, particularly, fibrodysplasia ossificans progressiva, and the present invention relates to provision of a pharmaceutical and pharmacological agent used for specifically antagonizing the BMP signal pathways and acting on the BMP signal pathways in the prevention and treatment or experimental application since the compounds can be beneficial for regulating cell differentiation and/or cell proliferation.

  本发明涉及特异性拮抗BMP信号通路的新型优良小分子化合物，这些化合物可用于调节细胞生长、分化、增殖和凋亡，从而可用于治疗与BMP信号通路相关的疾病或病理症状，包括炎症、心血管疾病、造血疾病、癌症、骨营养不良症、本发明涉及提供一种用于特异性拮抗 BMP 信号通路并作用于 BMP 信号通路的药物和药理制剂，以预防和治疗或实验应用，因为该化合物可有益于调节细胞分化和/或细胞增殖。