2-fluoropropionanilide | 37531-72-9

• 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: 2-fluoropropionanilide
• 英文别名: N-(2-fluorophenyl)propionamide；o-fluoropropionanilide；o-Fluorpropionanilid；Propanamide, N-(2-fluorophenyl)-；N-(2-fluorophenyl)propanamide
• CAS: 37531-72-9
• 化学式: C₉H₁₀FNO
• mdl: MFCD01034353
• 分子量: 167.183
• InChiKey: YUMWSAITHMEJKR-UHFFFAOYSA-N

物化性质

• 沸点：
  300.7±25.0 °C(Predicted)
• 密度：
  1.167±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-fluoropropionanilide 在 劳森试剂 作用下， 以 甲苯 为溶剂， 反应 1.5h， 生成 N-(2-fluorophenyl)propanethioamide
  参考文献：
  名称：

  Atropisomeric 4-Phenyl-4H-1,2,4-triazoles as Selective Glycine Transporter 1 Inhibitors

  摘要：

  We report on the optimization of 4H-1,2,4-triazole derivatives to increase their activity and selectivity as glycine transporter 1 (GlyT1) inhibitors. Structure-activity relationship exploration resulted in the identification of a 3-[3-ethyl-5-(6-phenylpyridin-3-yl)-4H-1,2,4-triazol-4-yl]-2-methyl-benzonitrile (14u) compound with markedly higher selectivity for GlyT1. Physiochemical studies revealed that 14u exists as a stable pair of atropisomers under physiological conditions. We successfully separated the atropisomers to obtain active enantiomer (R)-14u, which displayed favorable pharmacokinetic properties, as well as positive results in the mice Y-maze test.

  DOI：

  10.1021/jm400383w
• 作为产物：
  描述：

  2-氟苯胺 、 丙酰氯 以 甲苯 为溶剂， 反应 12.5h， 生成 2-fluoropropionanilide
  参考文献：
  名称：

  配体三重 C?H 活化反应：从丙酰胺一锅法合成多种 4-芳基-2-喹啉酮

  摘要：

  通过配体促进的三重连续 C - H 活化反应和立体特异性 Heck 反应，由丙酰胺一锅制备多种 4-芳基-2-喹啉酮。在这些级联反应中，形成了三个新的 C → C 键和一个 C → N 键，从而由丙酸快速构建分子复杂性。

  DOI：

  10.1002/anie.201403878

文献信息

• [EN] BENZAMIDE DERIVATIVES USEFUL AS HISTONE DEACETYLASE INHIBITORS<br/>[FR] DERIVES DE BENZAMIDE UTILES EN TANT QU'INHIBITEURS D'HISTONE DEACETYLASE
  申请人：ASTRAZENECA AB

  公开号：WO2003087057A1

  公开（公告）日：2003-10-23

  The invention concerns a compound of the formula (I) wherein Ring A is heterocyclyl; m is 0-4 and each R1 is a group such as hydroxy, halo, trifluoromethyl and cyano; R2 is halo and n is 0-2; and each R4 is a group such as hydroxy, halo, trifluoromethyl and cyano; p is 0-4; and R3 is amino or hydroxy; or pharmaceutically-acceptable salts or in-vivo-hydrolysable ester or amide thereof processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical condions mediated by histone deacetylase.

  本发明涉及一种公式(I)的化合物，其中环A是杂环；m为0-4，每个R1是如羟基、卤素、三氟甲基和腈的基团；R2是卤素，n为0-2；每个R4是如羟基、卤素、三氟甲基和腈的基团；p为0-4；R3是氨基或羟基；或其药物可接受的盐或体内可水解的酯或酰胺及其制备过程，包含它们的药物组合物以及它们在治疗由组蛋白脱乙酰酶介导的疾病或医疗条件中的用途。
• HETEROCYCLIC COMPOUNDS AND THEIR USES
  申请人：Cushing Timothy D.

  公开号：US20100331293A1

  公开（公告）日：2010-12-30

  Substituted bicyclic heteroaryls and compositions containing them, for the treatment of general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, including but not restricted to autoimmune diseases such as systemic lupus erythematosis (SLE), myestenia gravis, rheumatoid arthritis, acute disseminated encephalomyelitis, idiopathic thrombocytopenic purpura, multiples sclerosis, Sjogren's syndrome and autoimmune hemolytic anemia, allergic conditions including all forms of hypersensitivity, The present invention also enables methods for treating cancers that are mediated, dependent on or associated with p110δ activity, including but not restricted to leukemias, such as Acute Myeloid leukaemia (AML) Myelo-dysplastic syndrome (MDS) myelo-proliferative diseases (MPD) Chronic Myeloid Leukemia (CML) T-cell Acute Lymphoblastic leukaemia (T-ALL) B-cell Acute Lymphoblastic leukaemia (B-ALL) Non Hodgkins Lymphoma (NHL) B-cell lymphoma and solid tumors, such as breast cancer.

  含有替代双环杂环芳基的化合物及其组合物，用于治疗一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定膀胱疾病、牛皮癣、具有炎症成分的皮肤疾病、慢性炎症性疾病，包括但不限于自身免疫疾病如系统性红斑狼疮（SLE）、重症肌无力、类风湿性关节炎、急性播散性脑脊髓炎、特发性血小板减少性紫癜、多发性硬化症、干燥综合征和自身免疫性溶血性贫血，包括各种过敏症状，本发明还提供了治疗与p110δ活性有关的、依赖于或与之相关的癌症的方法，包括但不限于白血病，如急性髓系白血病（AML）、髓增生异常综合征（MDS）、髓增生性疾病（MPD）、慢性髓性白血病（CML）、T细胞急性淋巴细胞白血病（T-ALL）、B细胞急性淋巴细胞白血病（B-ALL）、非霍奇金淋巴瘤（NHL）、B细胞淋巴瘤和实体肿瘤，如乳腺癌。
• 一种氟比洛芬的制备方法
  申请人：浙江东亚药业股份有限公司

  公开号：CN112341352A

  公开（公告）日：2021-02-09

  本发明涉及一种氟比洛芬的制备方法，属于药物合成技术领域。为了解决现有的路线安全性差和收率低的问题，提供一种氟比洛芬的制备方法，包括路易斯酸作用下，将邻氟苯胺或N取代邻氟苯胺和2‑卤代丙酰卤进行酰基化反应，得到中间体式Ⅱ化合物；缩酮催化剂作用下，将式Ⅱ化合物与羰基保护试剂进行缩酮反应得到缩酮物；在酸性催化剂存在下，使缩酮物进行重排反应得到式Ⅳ化合物；在酸性或碱性条件下，再进行水解反应得到式Ⅴ化合物；在重氮化催化剂和相转移催化剂作用下，在酸条件下将式Ⅴ化合物、苯与亚硝酸盐混合进行重氮化反应，重氮化反应结束后，进行水解反应，得到相应的产物式Ⅰ化合物氟比洛芬。具有反应安全性和收率高的效果。
• Benzamide derivatives useful as histone deacetylase inhibitors
  申请人：Stokes Sophie Elizabeth Elaine

  公开号：US20050171103A1

  公开（公告）日：2005-08-04

  The invention concerns a compound of the formula (I) wherein Ring A is heterocyclyl; m is 0-4 and each R 1 is a group such as hydroxy, halo, trifluoromethyl and cyano; R 2 is, halo and n is 0-2; and each R 4 is a group such as hydroxy, halo, trifluoromethyl and cyano; p is 0-4; and R 3 is amino or hydroxy; or pharmaceutically-acceptable salts or in-vivo-hydrolysable ester or amide thereof processes for their preparation, pharmaceutical compositions containing them and their use in the treatment of diseases or medical condions mediated by histone deacetylase.

  本发明涉及一种化合物，其化学式为（I），其中环A为杂环基；m为0-4，每个R1是羟基、卤素、三氟甲基和氰基等基团；R2为卤素，n为0-2；每个R4是羟基、卤素、三氟甲基和氰基等基团；p为0-4；R3为氨基或羟基；或其药学可接受的盐或体内可水解的酯或酰胺，以及制备它们的过程，含有它们的制药组合物以及它们在治疗组织脱乙酰化酶介导的疾病或医学状况中的用途。
• Substituted pyrazoles as p38 kinase inhibitors
  申请人：Naraian S. Ashok

  公开号：US20070078146A1

  公开（公告）日：2007-04-05

  A class of pyrazole derivatives is described for use in treating p38 kinase medicated disorders. Compounds of particular interest are defined by Formula IA wherein R 1 , R 2 , R 3 and R 4 are as described in the specification.

  描述了一类吡唑衍生物，用于治疗p38激酶介导的疾病。特别感兴趣的化合物由公式IA定义，其中R1、R2、R3和R4如规范中所述。