2-fluoro-1-(carbamoyl)-5-nitrobenzene | 136146-82-2

• 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-fluoro-1-(carbamoyl)-5-nitrobenzene
• 英文别名: (2-fluoro-5-nitro)benzamide；2-Fluoro-5-nitrobenzamide
• CAS: 136146-82-2
• 化学式: C₇H₅FN₂O₃
• 分子量: 184.127
• InChiKey: BUTLXOOSCSREJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-fluoro-1-(carbamoyl)-5-nitrobenzene 、 4-羟乙基联苯 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists

  摘要：

  In pursuit of a potent and highly selective sphingosine-1-phosphate receptor agonists with an improved in vivo conversion of the precursor to the active phospho-drug, we have utilized previously reported phenylamide and phenylimidazole scaffolds to identify a selectivity enhancing moiety (SEM) and selectivity enhancing orientation (SEO) within both pharmacophores. SEM and SEO have allowed for over 100 to 500-fold improvement in selectivity for S1P receptor subtype 1 over subtype 3. Utility of SEM and SEO and further SAR study allowed for discovery of a potent and selective preclinical candidate PPI-4955 (21b) with an excellent in vivo potency and dose responsiveness and markedly improved overall in vivo pharmacodynamic properties upon oral administration. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.02.098

文献信息

• [EN] CCR5 ANTAGONISTS AS THERAPEUTIC AGENTS<br/>[FR] ANTAGONISTES DE CCR5 EN TANT QU'AGENTS THÉRAPEUTIQUES
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009058919A1

  公开（公告）日：2009-05-07

  The present invention relates to compounds useful in the treatment of CCR5-related diseases and disorders, for example, useful in the inhibition of HIV replication, the prevention or treatment of an HIV infection, and in the treatment of the resulting acquired immune deficiency syndrome (AIDS).

  本发明涉及在治疗CCR5相关疾病和疾病中有用的化合物，例如，在抑制HIV复制、预防或治疗HIV感染以及治疗由此导致的获得性免疫缺陷综合症（AIDS）方面有用。
• [EN] INDAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PROTEIN KINASES, AND METHODS FOR THEIR USE<br/>[FR] COMPOSES D'INDAZOLE ET COMPOSITIONS PHARMACEUTIQUES INHIBANT LES PROTEINES KINASES, ET PROCEDES D'UTILISATION DE CEUX-CI
  申请人：AGOURON PHARMA

  公开号：WO2001002369A2

  公开（公告）日：2001-01-11

  Indazole compounds that modulate and/or inhibit the activity of certain protein kinases are described. These compounds and pharmaceutical compositions containing them are capable of mediating tyrosine kinase signal transduction and thereby modulate and/or inhibit unwanted cell proliferation. The invention is also directed to the therapeutic or prophylactic use of pharmaceutical compositions containing such compounds, and to methods of treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation, such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, and psoriasis, by administering effective amounts of such compounds.

  本文描述了调节和/或抑制某些蛋白激酶活性的吲唑化合物。这些化合物和含有它们的药物组合物能够介导酪氨酸激酶信号转导，从而调节和/或抑制不需要的细胞增殖。本发明还涉及含有这些化合物的药物组合物的治疗或预防用途，并通过给予有效量的这些化合物的方法治疗癌症和其他与不需要的血管生成和/或细胞增殖有关的疾病状态，例如糖尿病视网膜病变、新生血管性青光眼、类风湿性关节炎和牛皮癣。
• Thioamides and Salts Thereof and Cytokine Production Inhibitors Containing Both
  申请人：Kato Fuminori

  公开号：US20070219215A1

  公开（公告）日：2007-09-20

  To provide cytokine production inhibitors useful as preventive or therapeutic medicines for diseases accompanied by hyperactivated immune functions. A cytokine production inhibitor containing, as an active ingredient, a thioamide compound represented by the formula (I) or a salt thereof: wherein A is N, NO, C—NO 2 or C—CN; Hal is a halogen; M 1 is alkyl, alkenyl, alkynyl, cycloalkyl, cycloalkenyl, aryl, heterocyclyl, amino, O, S, SO or SO 2 ; M 2 is amino, O, S or a single bond; R 1 is a halogen, alkyl or the like; each of R 2 , R 3 , R 4 and R 5 is independently H, alkyl or the like; R 6 is a halogen, alkyl or the like; Cy is cycloalkyl, cycloalkenyl, aryl or heterocyclyl; each of k, p and q is independently an integer of from 0 to 3; and r is an integer of from 0 to 5.

  提供细胞因子产生抑制剂，用作预防或治疗伴随有免疫功能过度活化的疾病的药物。一种包含硫酰胺化合物或其盐的细胞因子产生抑制剂，所述硫酰胺化合物由式（I）表示：其中，A为N、NO、C—NO2或C—CN；Hal为卤素；M1为烷基、烯基、炔基、环烷基、环烯基、芳基、杂环基、氨基、O、S、SO或SO2；M2为氨基、O、S或单键；R1为卤素、烷基或类似物；R2、R3、R4和R5中的每一个独立地为H、烷基或类似物；R6为卤素、烷基或类似物；Cy为环烷基、环烯基、芳基或杂环基；k、p和q中的每一个独立地为0到3的整数；r为0到5的整数。
• Nouveau dérivés de l'hydroxylamine, leur procédé de préparation, leur application comme facteur de croissance des végétaux et les compositions les renfermant
  申请人：ROUSSEL-UCLAF

  公开号：EP0119892A1

  公开（公告）日：1984-09-26

  L'invention a pour objet les composés (1): où Ar est un radical aromatique ou hétéroaromatique mono ou polycyclique éventuellement substitué, ainsi que leurs sels d'addition avec les acides. L'invention a aussi pour objet un procédé de préparation des composés de formule (I) et de leurs sels, leur application comme facteurs de croissance des végétaux et les compositions les renfermant.

  本发明的目的是化合物（1）：其中 Ar 是任选取代的单环或多环芳香族或杂芳香族自由基，以及它们与酸的加成盐。 本发明的目的还在于制备式（I）化合物及其盐的工艺、它们作为植物生长因子的用途以及含有它们的组合物。
• Indazole compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use
  申请人：AGOURON PHARMACEUTICALS, INC.

  公开号：EP1614683B1

  公开（公告）日：2007-11-21