5-氟-N-异丙基-2-硝基苯胺 | 131885-33-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 5-氟-N-异丙基-2-硝基苯胺
• 英文名称: (5-fluoro-2-nitrophenyl)isopropylamine
• 英文别名: 5-fluoro-N-isopropyl-2-nitroaniline；5-fluoro-2-nitro-N-propan-2-ylaniline
• CAS: 131885-33-1
• 化学式: C₉H₁₁FN₂O₂
• mdl: MFCD16744202
• 分子量: 198.197
• InChiKey: WNHWAHLPBFAQLD-UHFFFAOYSA-N

物化性质

• 沸点：
  301.6±32.0 °C(Predicted)
• 密度：
  1.251±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  57.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2921420090

SDS

5-氟-N-异丙基-2-硝基苯胺MSDS英文版

反应信息

• 作为反应物：
  描述：

  5-氟-N-异丙基-2-硝基苯胺 在 ammonium chloride 、 caesium carbonate 、 锌 作用下， 以 乙醇 、 二甲基亚砜 为溶剂， 生成 4-imidazol-1-yl-N²-isopropyl-benzene-1,2-diamine
  参考文献：
  名称：

  Characterization of a new class of selective nonsteroidal progesterone receptor agonists

  摘要：

  The identification of a new series of selective nonsteroidal progesterone receptor (PR) agonists is reported. Using a high-throughput screening assay based on the measurement of transactivation of a mouse mammary tumor virus promoter-driven luciferase reporter (MMTV-Luc) in human breast cancer T47D cells, a benzimidazole-2-thione analog was identified. Compound I showed an apparent EC50 of 53 nM and efficacy of 93% with respect to progesterone. It binds to PR with high affinity (K-i = 89 nM), but had no or very low affinity for other steroid hormone receptors. Structure-activity relationship studies of a series of benzimidazole-2-thione analogs revealed critical positions for high PR binding affinity and transactivation potency as well as receptor selectivity, as exemplified by 25. Compound 25 binds to human PR with high affinity (K-i = 28 nM) and had at least >1000-fold selectivity for PR versus other steroid receptors. Molecular modeling studies suggested that these agonists overlap favorably with progesterone in the ligand-binding domain of PR. In T47D cells, compound 25 acted as a full agonist in the MTV-Luc reporter assay, as well as in the induction of endogenous alkaline phosphatase activity with apparent EC50 values of 4 and 9 nM, respectively. In the immature rat model, compound 25 provided a significant suppression of estrogen-induced endometrium hypertrophy as measured by luminal epithelial height. In contrast, compound 25 was inactive in the luteinizing hormone release assay in young ovariectornized rats. These benzimidazole-2-thione analogs constitute a new series of nonsteroidal PR agonists with an excellent steroid receptor selectivity profile. The differential activities observed in the in vivo progestogenic assays in rat models suggest that these analogs can act as selective PR modulators. (C) 2004 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.steroids.2003.12.007
• 作为产物：
  描述：

  2,4-二氟硝基苯 、 异丙胺 以 乙醇 为溶剂， 生成 5-氟-N-异丙基-2-硝基苯胺
  参考文献：
  名称：

  发现 KIN-3248，一种不可逆的下一代 FGFR 抑制剂，用于治疗携带 FGFR2 和/或 FGFR3 基因改变的晚期肿瘤

  摘要：

  成纤维细胞生长因子受体（FGFR）改变在多种癌症中作为致癌驱动因素和旁路机制存在。这些改变可以包括融合、扩增、重排和突变。对当前 FGFR 抑制剂的获得性耐药性通常会导致疾病进展并给患者带来不利的结果。临床上对当前 FGFR 抑制剂耐药的肿瘤的基因组分析揭示了一些获得性驱动改变，这些改变可能成为下一代治疗的目标。在此，我们描述了如何使用基于结构的药物设计 (SBDD) 来发现有效的激酶组选择性泛 FGFR 抑制剂KIN-3248 ，该抑制剂对许多获得性耐药突变具有活性。 KIN-3248目前正处于 I 期临床开发阶段，用于治疗携带 FGFR2 和/或 FGFR3 基因改变的晚期肿瘤。

  DOI：

  10.1021/acs.jmedchem.3c01819

文献信息

• [EN] INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR KINASES<br/>[FR] INHIBITEURS DES KINASES RÉCEPTRICES DU FACTEUR DE CROISSANCE DES FIBROBLASTES
  申请人：KINNATE BIOPHARMA INC

  公开号：WO2021247969A1

  公开（公告）日：2021-12-09

  Provided herein are heteroaryl inhibitors of fibroblast growth factor receptor kinases, pharmaceutical compositions comprising said compounds, and methods for using said compounds for the treatment of diseases.

  提供了一种杂芳基的成纤维细胞生长因子受体激酶抑制剂，包括所述化合物的药物组合物，以及使用所述化合物治疗疾病的方法。
• HETEROCYCLIC COMPOUNDS AND METHODS OF USE
  申请人：Heald Robert

  公开号：US20120202785A1

  公开（公告）日：2012-08-09

  Formula I compounds, including stereoisomers, geometric isomers, tautomers, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting the delta isoform of PI3K, and for treating disorders mediated by lipid kinases such as inflammation, immunological disorders, and cancer. Methods of using compounds of Formula I for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.

  化学式I类化合物，包括立体异构体、几何异构体、互变异构体、代谢物及其药学上可接受的盐，对抑制PI3K的δ异构体以及治疗由脂质激酶介导的疾病，如炎症、免疫性疾病和癌症，具有用途。公开了利用化合物I类进行体外、体内和体内诊断、预防或治疗哺乳动物细胞中的这类疾病，或相关的病理状况的方法。
• [EN] BENZIMIDAZOLONE COMPOUNDS HAVING 5-HT4 RECEPTOR AGONISTIC ACTIVITY<br/>[FR] COMPOSES DE BENZIMIDAZOLONE A ACTIVITE D'AGONISTES DU RECEPTEUR 5-HT4
  申请人：PFIZER JAPAN INC

  公开号：WO2005021539A1

  公开（公告）日：2005-03-10

  This invention provides a compound of the formula (I) or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and the use of such compounds for the manufacture of medicament for gastroesophageal reflux disease, gastrointestinal disease, gastric motility disorder, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome (IBS), constipation, dyspepsia, esophagitis, gastroesophageral disease, nausea, central nervous system disease, Alzheimer's disease, cognitive disorder, emesis, migraine, neurological disease, pain, cardiovascular disorders, cardiac failure, heart arrhythmia, diabetes and apnea syndrome. These compounds have 5-HT4 receptor agonistic activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans.

  该发明提供了式(I)的化合物或其药用可接受的盐，以及含有这种化合物的组合物和利用这种化合物制造用于治疗胃食管反流病、胃肠疾病、胃动力障碍、非溃疡性消化不良、功能性消化不良、肠易激综合征（IBS）、便秘、消化不良、食管炎、胃食管疾病、恶心、中枢神经系统疾病、阿尔茨海默病、认知障碍、呕吐、偏头痛、神经系统疾病、疼痛、心血管疾病、心力衰竭、心律失常、糖尿病和呼吸暂停综合征的药物的用途。这些化合物具有5-HT4受体激动活性，因此对于治疗哺乳动物，尤其是人类的胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等疾病是有用的。
• Benzimidazolone compounds having 5-HT4 receptor agonistic activity
  申请人：Katsu Yasuhiro

  公开号：US20050148573A1

  公开（公告）日：2005-07-07

  This invention provides a compound of the formula (I): or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and the use of such compounds for the manufacture of medicament for gastroesophageal reflux disease, gastrointestinal disease, gastric motility disorder, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome (IBS), constipation, dyspepsia, esophagitis, gastroesophageral disease, nausea, central nervous system disease, Alzheimer's disease, cognitive disorder, emesis, migraine, neurological disease, pain, cardiovascular disorders, cardiac failure, heart arrhythmia, diabetes and apnea syndrome. These compounds have 5-HT 4 receptor agonistic activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans.

  本发明提供了一种式（I）的化合物或其药学上可接受的盐，并且还提供了包含这种化合物的组合物以及使用这种化合物制造治疗胃食管反流病、胃肠道疾病、胃动力障碍、非溃疡性消化不良、功能性消化不良、肠易激综合征（IBS）、便秘、消化不良、食管炎、胃食管疾病、恶心、中枢神经系统疾病、阿尔茨海默病、认知障碍、呕吐、偏头痛、神经系统疾病、疼痛、心血管疾病、心力衰竭、心律失常、糖尿病和呼吸暂停综合征的药物的用途。这些化合物具有5-HT4受体激动作用，因此对于哺乳动物，特别是人类的治疗胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等非常有用。
• Benzimidazolone Compounds Having 5-HT4 Receptor Agonistic Activity
  申请人：Katsu Yasuhiro

  公开号：US20100273794A1

  公开（公告）日：2010-10-28

  This invention provides a compound of the formula (I): or a pharmaceutically acceptable salt thereof, and compositions containing such compounds and the use of such compounds for the manufacture of medicament for gastroesophageal reflux disease, gastrointestinal disease, gastric motility disorder, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome (IBS), constipation, dyspepsia, esophagitis, gastroesophageral disease, nausea, central nervous system disease, Alzheimer's disease, cognitive disorder, emesis, migraine, neurological disease, pain, cardiovascular disorders, cardiac failure, heart arrhythmia, diabetes and apnea syndrome. These compounds have 5-HT 4 receptor agonistic activity, and thus are useful for the treatment of gastroesophageal reflux disease, non-ulcer dyspepsia, functional dyspepsia, irritable bowel syndrome or the like in mammalian, especially humans.

  本发明提供了公式（I）的化合物或其药学上可接受的盐，以及含有这样的化合物的组合物和使用这样的化合物制造治疗胃食管反流病、胃肠道疾病、胃动力障碍、非溃疡性消化不良、功能性消化不良、肠易激综合征（IBS）、便秘、消化不良、食管炎、胃食管疾病、恶心、中枢神经系统疾病、阿尔茨海默病、认知障碍、呕吐、偏头痛、神经系统疾病、疼痛、心血管疾病、心力衰竭、心律失常、糖尿病和呼吸暂停综合症的药物。这些化合物具有5-HT4受体激动活性，因此对哺乳动物，特别是人类的治疗胃食管反流病、非溃疡性消化不良、功能性消化不良、肠易激综合征等非常有用。