2-氟-5-(三氟甲基)苯甲酰胺 | 207919-05-9

• 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: 2-氟-5-(三氟甲基)苯甲酰胺
• 中文别名: α,α,α,2-四氟间甲苯酰胺；2-氟-3-(三氟甲基)苯甲酰胺
• 英文名称: 2-fluoro-5-trifluoromethylbenzamide
• 英文别名: 2-Fluoro-5-(trifluoromethyl)benzamide
• CAS: 207919-05-9
• 化学式: C₈H₅F₄NO
• 分子量: 207.127
• InChiKey: DDLPGTOHZZKQLP-UHFFFAOYSA-N

物化性质

• 熔点：
  115-117°C
• 稳定性/保质期：

  避氧化物

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 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：
  43.1
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 危险等级：
  IRRITANT
• 危险品标志：
  Xi
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  2-氟-5-(三氟甲基)苯甲酰胺 在 sodium hydride 、 三乙胺 作用下， 以 二甲基亚砜 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 1.0h， 生成 2-(((1,4-trans)-4-(3-(3-(trifluoromethoxy)phenyl)ureido)-cyclohexyl)oxy)-5-(trifluoromethyl)benzamide
  参考文献：
  名称：

  Development of 1-((1,4-trans)-4-Aryloxycyclohexyl)-3-arylurea Activators of Heme-Regulated Inhibitor as Selective Activators of the Eukaryotic Initiation Factor 2 Alpha (eIF2α) Phosphorylation Arm of the Integrated Endoplasmic Reticulum Stress Response

  摘要：

  Heme-regulated inhibitor (HRI), an eukaryotic translation initiation factor 2 alpha (eIF2 alpha) kinase, plays critical roles in cell proliferation, differentiation, adaptation to stress, and hemoglobin disorders. HRI phosphorylates eIF2 alpha, which couples cellular signals, including endoplasmic reticulum (ER) stress, to translation. We previously identified 1,3-diarylureas and 1-((1,4-trans)-4-aryloxycydohexyl)-3-arylureas (cHAUs) as specific activators of HRI that trigger the eIF2 alpha phosphorylation arm of ER stress response as molecular probes for studying HRI biology and its potential as a druggable target. To develop drug-like cHAUs needed for in vivo studies, we undertook bioassay-guided structure-activity relationship studies and tested them in the surrogate eIF2 alpha phosphorylation and cell proliferation assays. We further evaluated some of these cHAUs in endogenous eIF2 alpha phosphorylation and in the expression of the transcription factor C/EBP homologous protein (CHOP) and its mRNA, demonstrating significantly improved solubility and/or potencies. These cHAUs are excellent candidates for lead optimization for development of investigational new drugs that potently and specifically activate HRI.

  DOI：

  10.1021/acs.jmedchem.7b00059
• 作为产物：
  描述：

  2-氟-5-三氟甲基苯甲酸 在 氯化铵 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-氟-5-(三氟甲基)苯甲酰胺
  参考文献：
  名称：

  [EN] BICYCLIC DERIVATIVES AS CCR2 MODULATORS
  [FR] DÉRIVÉS BICYCLIQUES UTILISÉS EN TANT QUE MODULATEURS DE CCR2

  摘要：

  The present disclosure relates generally to small molecule modulators of chemotactic cytokines (chemokine) receptors CCR2, or a pharmaceutically acceptable salt, stereoisomer, mixture of stereoisomers or prodrug thereof, and methods of making and using thereof.

  公开号：

  WO2023081661A1

文献信息

• Benzene compounds
  申请人：SUZUKI Nobuyasu

  公开号：US20070105899A1

  公开（公告）日：2007-05-10

  The present invention provides novel benzene compounds presented by the following formulas, and analogs thereof, that exert an ACC activity-inhibiting effect that is effective in the treatment of obesity, hyperlipemia, fatty liver, hyperglycemia, impaired glucose tolerance, diabetes, diabetic complications (diabetic peripheral neuropathy, diabetic nephropathy, diabetic retinopathy, and diabetic macroangiopathy, hypertension, arteriosclerosis), hypertension, and arteriosclerosis.

  本发明提供了以下公式所示的新型苯化合物及其类似物，具有ACC活性抑制作用，对肥胖、高脂血症、脂肪肝、高血糖、糖耐量受损、糖尿病、糖尿病并发症（糖尿病周围神经病变、糖尿病肾病、糖尿病视网膜病变和糖尿病大血管病变、高血压、动脉硬化）以及高血压和动脉硬化的治疗有效。
• INDOLE DERIVATIVES
  申请人：Beke Gyula

  公开号：US20130217702A1

  公开（公告）日：2013-08-22

  The present invention relates to the indole derivatives of formula (I), wherein R 1 -R 6 and X are defined in the claims and optical antipodes or racemates and/or salts thereof which are selective antagonists of bradykinin B1 to process for producing these compounds, pharmacological compositions containing them and to their use in therapy or prevention of painful and inflammatory conditions.

  本发明涉及式(I)的吲哚衍生物，其中R1-R6和X在权利要求中定义，并且其光学对映体或消旋体和/或盐是布雷金肽B1的选择性拮抗剂，用于制备这些化合物的方法，含有它们的药理学组合物以及它们在治疗或预防疼痛和炎症症状中的用途。
• Substituted Cyclohexylmethyl Compounds
  申请人：OBERBOERSCH Stefan

  公开号：US20090286833A1

  公开（公告）日：2009-11-19

  Novel cyclohexylmethyl compounds corresponding to formula I wherein R 1 , R 2 , R 3 , R 4 and R 5 , have the meanings given in the description. Pharmaceutical formulations containing these compounds, as well as a processes for preparing these compounds and related methods of treatment are also provided.

  新型环己基甲基化合物对应于式I，其中R1、R2、R3、R4和R5在描述中给出了它们的含义。还提供了含有这些化合物的药物配方，以及制备这些化合物的过程和相关治疗方法。
• [EN] 3-PIPERIDINYLISOCHROMAN-5-OLS AS DOPAMINE AGONISTS<br/>[FR] 3-PIPERIDINYLISOCHROMAN-5-OLS UTILISES EN TANT QU'AGONISTES DE LA DOPAMINE
  申请人：AVENTIS PHARMA INC

  公开号：WO2005111025A1

  公开（公告）日：2005-11-24

  The present invention provides compounds of formula (I): a stereoisomer or a pharmaceutically acceptable salt thereof, wherein the variables R1, R2, R3, R4, X and n are defined as defined herein. Additionally, a method for treating dopamine-related neurological disorders selected form the group consisting of neurological, psychological, cardiovascular, cognitive or attention disorders, substance abuse and addictive behavior, or a combination thereof, comprising administering to a patient in need of such treatment a therapeutically effective amount of compounds of formula (I).

  本发明提供了式(I)的化合物：其立体异构体或药学上可接受的盐，其中变量R1、R2、R3、R4、X和n如此处所定义。另外，提供了一种用于治疗多巴胺相关神经系统疾病的方法，所述疾病包括神经系统、心理、心血管、认知或注意力障碍、物质滥用和成瘾行为，或其组合，包括向需要此类治疗的患者施用式(I)的化合物的治疗有效量。
• Acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and their use as antiproliferative agents
  申请人：——

  公开号：US20030069259A1

  公开（公告）日：2003-04-10

  The present invention is directed to acyl and sulfonyl derivatives of 6,9-disubstituted 2-(trans-1,4-diaminocyclohexyl)-purines and methods of using the same as antiproliferative agents or to prevent apoptosis.

  本发明涉及酰基和磺酰衍生物，其为6,9-二取代的2-(反-1,4-二氨基环己基)-嘌呤的衍生物，并且涉及使用它们作为抗增殖剂或预防细胞凋亡的方法。