2-((2-碘苯基氨基)亚甲基)丙二酸二乙酯 | 49713-38-4

• 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-((2-碘苯基氨基)亚甲基)丙二酸二乙酯
• 英文名称: 2-[(2-iodo-phenylamino)-methylene]-malonic acid diethyl ester
• 英文别名: Diethyl 2-((2-iodophenylamino)methylene)malonate；diethyl 2-[(2-iodoanilino)methylidene]propanedioate
• CAS: 49713-38-4
• 化学式: C₁₄H₁₆INO₄
• 分子量: 389.19
• InChiKey: HBYYKZHGTVOZGZ-UHFFFAOYSA-N

物化性质

• 沸点：
  387.4±42.0 °C(Predicted)
• 密度：
  1.576±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  20
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-((2-碘苯基氨基)亚甲基)丙二酸二乙酯 在 三氯氧磷 作用下， 以 二苯醚 为溶剂， 反应 2.59h， 生成 8-Iodo-4-phenylamino-quinoline-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Palladium Catalysed Coupling of Iodoquinolines and Acetylenes -- A Novel Entry to the Pyrrolo[3,2,1-ij]quinoline Nucleus

  摘要：

  DOI：

  10.3987/com-97-7958
• 作为产物：
  描述：

  2-碘苯胺 、 乙氧基甲叉丙二酸二乙酯 在 silica 、 ethyl acetate hexanes 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 以to afford 2-[(2-iodo-phenylamino)-methylene]-malonic acid diethyl ester as an off-white powder (81.4 g, 91.6%)的产率得到2-((2-碘苯基氨基)亚甲基)丙二酸二乙酯
  参考文献：
  名称：

  Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto

  摘要：

  本发明涉及公式（I）的某些融合芳基和杂环芳基衍生物，它们是代谢调节剂。因此，本发明的化合物在预防或治疗代谢性疾病及其并发症，如糖尿病和肥胖症方面是有用的。

  公开号：

  US20070072844A1

文献信息

• Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prophylaxis and treatment of disorders related thereto
  申请人：Jones M. Robert

  公开号：US20060142262A1

  公开（公告）日：2006-06-29

  The present invention relates to certain fused aryl and heteroaryl derivatives of Formula (I) that are modulators of metabolism. Accordingly, compounds of the present invention are useful in the prophylaxis or treatment of metabolic disorders and complications thereof, such as, diabetes and obesity.

  本发明涉及公式（I）的某些融合芳基和杂芳基衍生物，它们是代谢调节剂。因此，本发明的化合物在预防或治疗代谢性疾病及其并发症方面非常有用，如糖尿病和肥胖症。
• FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO
  申请人：Jones Robert M.

  公开号：US20100093761A1

  公开（公告）日：2010-04-15

  The present invention relates to certain fused aryl and heteroaryl derivatives of Formula (I) that are modulators of metabolism. Accordingly, compounds of the present invention are useful in the prophylaxis or treatment of metabolic disorders and complications thereof, such as, diabetes and obesity.

  本发明涉及公式（I）的某些融合芳基和杂环芳基衍生物，它们是代谢调节剂。因此，本发明的化合物在预防或治疗代谢性疾病及其并发症，如糖尿病和肥胖症方面是有用的。
• Fused-aryl and heteroaryl derivatives as modulators of metabolism and the prohylaxis and treatment of disorders related thereto
  申请人：Arena Pharmaceuticals, Inc.

  公开号：EP2292620A2

  公开（公告）日：2011-03-09

  The present invention relates to certain fused aryl and heteroaryl derivatives of Formula (I) that are modulators of metabolism. Accordingly, compounds of the present invention are useful in the prophylaxis or treatment of metabolic disorders and complications thereof, such as, diabetes and obesity.

  本发明涉及某些可调节新陈代谢的式 (I) 融合芳基和杂芳基衍生物。 因此，本发明的化合物可用于预防或治疗代谢紊乱及其并发症，如糖尿病和肥胖症。
• <i>N-</i>Arylpiperazinyl-<i>N</i>‘<i>-</i>propylamino Derivatives of Heteroaryl Amides as Functional Uroselective α₁-Adrenoceptor Antagonists
  作者：Todd R. Elworthy、Anthony P. D. W. Ford、Gary W. Bantle、David J. Morgans,、Rachel S. Ozer、Wylie S. Palmer、David B. Repke、Magarita Romero、Leticia Sandoval、Eric B. Sjogren、Francisco X. Talamás、Alfredo Vazquez、Helen Wu、Nicolas F. Arredondo、David R. Blue,、Andrea DeSousa、Lisa M. Gross、M. Shannon Kava、John D. Lesnick、Rachel L. Vimont、Timothy J. Williams、Quan-Ming Zhu、Jürg R. Pfister、David E. Clarke

  DOI：10.1021/jm970166j

  日期：1997.8.1

  Novel arylpiperazines were identified as alpha(1)-adrenoceptor(BR) subtype-selective antagonists by functional in vitro screening. 3-[4-(ortho-Substituted phenyl)piperazin-1-yl]propylamines were derivatized with N,N-dimethyl anthranilamides, nicotinamides,;as well as carboxamides of quinoline, I,8-naphthyridine, pyrazolo[3,4-b]pyridine, isoxazolo[3,4-b]pyridine, imidazo[4,5-b]pyridine, and pyrazolo[1,5-a]pyrimidines. Strips of rabbit bladder neck were employed as a predictive assay for antagonism in the human lower tract. Rings of rat aorta;a were used as a ''negative screen'' for the test antagonists. Binding to alpha(1)-ARs was relatively sensitive to size and electronic features of the arylpiperazine portion of the antagonists and permissive to these features on the heteroaryl carboxamide side. These structure-affinity findings were exploited to produce nicotinamides (e.g, 13ii and 25x) and pyrazolo[3,4-b]pyridines (e.g. 37f and 37y) ligands with nanomolar affinity at the alpha(1)-AR subtype prevalent in the human lower urinary tract (pA(2) values: 8.8, 10.7, 9.3, and 9.9, respectively) and displaying 2-3 orders of magnitude selectivity over the alpha(1D)-AR.
• [EN] FUSED-ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO<br/>[FR] DERIVES ARYLE ET HETEROARYLE CONDENSES UTILISES COMME MODULATEURS DU METABOLISME ET PROPHYLAXIE ET TRAITEMENT DES TROUBLES METABOLIQUES
  申请人：ARENA PHARM INC

  公开号：WO2005007658A3

  公开（公告）日：2005-06-16