4'-Ethyl-4-nitrodiphenyl-ether | 50672-59-8

• 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: 4'-Ethyl-4-nitrodiphenyl-ether
• 英文别名: 1-Ethyl-4-(4-nitrophenoxy)benzene
• CAS: 50672-59-8
• 化学式: C₁₄H₁₃NO₃
• 分子量: 243.262
• InChiKey: RLBDKFLVEFTRLX-UHFFFAOYSA-N

物化性质

• 沸点：
  170 °C(Press: 5 Torr)
• 密度：
  1.188±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  55
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4'-Ethyl-4-nitrodiphenyl-ether 在 palladium hydroxide on carbon 、 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、101.33 kPa 条件下， 以89%的产率得到4-(4-ethyl-phenoxy)-aniline
  参考文献：
  名称：

  A Focused Library of Protein Tyrosine Phosphatase Inhibitors

  摘要：

  Protein tyrosine phosphatases such as PTP1B and YopH are potential targets for the development of therapeutic agents against a variety of pathological conditions including diabetes, obesity, and infection by the bacterium Yersinia pestis. A focused library of bidentate a-ketoacid-based inhibitors has been screened against several tyrosine phosphatases. Compound 2a has IC(50) values of 43 and 220 nM against YopH and PTP1B, respectively, and shows a 30-fold selectivity for PTP1B over the closely related phosphatase TCPTP.

  DOI：

  10.1021/jm100528p
• 作为产物：
  描述：

  4-乙基苯酚 、 对硝基氯苯 在 potassium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.17h， 以82%的产率得到4'-Ethyl-4-nitrodiphenyl-ether
  参考文献：
  名称：

  A Focused Library of Protein Tyrosine Phosphatase Inhibitors

  摘要：

  Protein tyrosine phosphatases such as PTP1B and YopH are potential targets for the development of therapeutic agents against a variety of pathological conditions including diabetes, obesity, and infection by the bacterium Yersinia pestis. A focused library of bidentate a-ketoacid-based inhibitors has been screened against several tyrosine phosphatases. Compound 2a has IC(50) values of 43 and 220 nM against YopH and PTP1B, respectively, and shows a 30-fold selectivity for PTP1B over the closely related phosphatase TCPTP.

  DOI：

  10.1021/jm100528p

文献信息

• Factor VIIa inhibitory (thio)urea derivatives, their preparation and their use
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1162194A1

  公开（公告）日：2001-12-12

  The present invention relates to compounds of the formula I, in which R1, R2, R3, R4, R5, R6, A, X, m and n have the meanings indicated in the claims. The compounds of the formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of thromboembolic diseases and restenoses. They are reversible inhibitors of the blood clotting enzyme factor VIIa and can in general be applied in conditions in which an undesired activity of factor VIIa is present or for the cure or prevention of which an inhibition of factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula I, their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.

  本发明涉及式 I 的化合物、 其中 R1、R2、R3、R4、R5、R6、A、X、m 和 n 具有权利要求中所述的含义。式 I 的化合物是具有重要药理活性的化合物。它们具有很强的抗血栓作用，适用于血栓栓塞性疾病和再狭窄的治疗和预防。它们是凝血酶 VIIa 因子的可逆抑制剂，一般可用于存在 VIIa 因子不良活性的情况，或用于抑制 VIIa 因子的治疗或预防。此外，本发明还涉及式 I 化合物的制备工艺、其用途（尤其是作为药物的活性成分）以及由其组成的药物制剂。
• HAMADA YOSHIKI; MATSUOKA HIDEKO; HACHISUKA YOETSU; WAKAYAMA TAKAHIRO; KAW+, YAKUGAKU DZASSI, JAKUGAKU ZASSNI, J. PHARM. SOS. JAR., 1976, 96, NO 11, 1+
  作者：HAMADA YOSHIKI、 MATSUOKA HIDEKO、 HACHISUKA YOETSU、 WAKAYAMA TAKAHIRO、 KAW+

  DOI：——

  日期：——
• FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE
  申请人：Aventis Pharma Deutschland GmbH

  公开号：EP1299354A2

  公开（公告）日：2003-04-09
• US6743790B2
  申请人：——

  公开号：US6743790B2

  公开（公告）日：2004-06-01
• [EN] FACTOR VIIA INHIBITORY (THIO)UREA DERIVATIVES, THEIR PREPARATION AND THEIR USE<br/>[FR] DERIVES DE (THIO)UREE INHIBITEURS DU FACTEUR VIIA, LEUR PREPARATION ET LEUR UTILISATION
  申请人：AVENTIS PHARMA GMBH

  公开号：WO2001094301A2

  公开（公告）日：2001-12-13

  The present invention relates to compounds of formula (I), in which R?1, R2, R3, R4, R5, R6¿, A, X, m and n have the meanings indicated in the claims. The compounds of the formula (I) are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of thromboembolic diseases and restenoses. They are reversible inhibitors of the blood clotting enzyme factor VIIa and can in general be applied in conditions in which an undesired activity of factor VIIa is present or for the cure or prevention of which an inhibition of factor VIIa is intended. The invention furthermore relates to processes for the preparation of compounds of the formula (I), their use, in particular as active ingredients in pharmaceuticals, and pharmaceutical preparations comprising them.