2-(4-氨基苯基)-2-甲基丙酸乙酯 | 36924-81-9

• 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-(4-氨基苯基)-2-甲基丙酸乙酯
• 英文名称: ethyl 2-(4-aminophenyl)-2-methylpropanoate
• 英文别名: ethyl 2-(4-aminophenyl)-2-methylpropionate
• CAS: 36924-81-9
• 化学式: C₁₂H₁₇NO₂
• 分子量: 207.272
• InChiKey: QLWOMLYAERSUKT-UHFFFAOYSA-N

物化性质

• 沸点：
  313.4±25.0 °C(Predicted)
• 密度：
  1.063±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(4-氨基苯基)-2-甲基丙酸乙酯 在 盐酸 、 硫酸 、 sodium nitrite 作用下， 生成 2-[3-(2-aminoethyl)-2-(3,5-dimethyl-phenyl)-1H-indol-5-yl]-2-methylpropionic acid ethyl ester
  参考文献：
  名称：

  Substituted Indole-5-carboxamides and -acetamides as Potent Nonpeptide GnRH Receptor Antagonists

  摘要：

  The 2-aryltryptamine class of GnRH receptor antagonists has been modified to incorporate carboxamide and acetamide substituents at the indole 5-position. With either a phenol or methanesulfonamide terminus on the N-aralkyl side chain, potent binding affinity to the GnRH receptor was achieved. A functional assay for GnRH antagonism was even more sensitive to structural modification and revealed a strong preference for branched tertiary amides. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00274-8
• 作为产物：
  描述：

  2-甲基-2-苯基丙腈 在 盐酸 、 硝酸 、 铁粉 作用下， 生成 2-(4-氨基苯基)-2-甲基丙酸乙酯
  参考文献：
  名称：

  Joensson, Acta Chemica Scandinavica (1947), 1954, vol. 8, p. 1203,1207

  摘要：

  DOI：

文献信息

• Compositions for Treatment of Cystic Fibrosis and Other Chronic Diseases
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：US20150231142A1

  公开（公告）日：2015-08-20

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及含有上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES
  申请人：Van Goor Fredrick F.

  公开号：US20110098311A1

  公开（公告）日：2011-04-28

  The present invention relates to pharmaceutical compositions comprising an inhibitor of epithelial sodium channel activity in combination with at least one ABC Transporter modulator compound of Formula A, Formula B, Formula C, or Formula D. The invention also relates to pharmaceutical formulations thereof, and to methods of using such compositions in the treatment of CFTR mediated diseases, particularly cystic fibrosis using the pharmaceutical combination compositions.

  本发明涉及包含上皮钠通道活性抑制剂与至少一种ABC转运蛋白调节剂化合物（A式、B式、C式或D式）的药物组合物。该发明还涉及这些药物配方，以及使用这些组合物治疗CFTR介导的疾病，特别是囊性纤维化的方法。
• Antagonists of gonadotropin releasing hormone
  申请人：Merck & Co., Inc.

  公开号：US05756507A1

  公开（公告）日：1998-05-26

  There are disclosed compounds of formula (I) ##STR1## and pharmaceutically acceptable salts thereof which are useful as antagonists of GnRH and as such may be useful for the treatment of a variety of sex-hormone related and other conditions in both men and women.

  公式（I）的化合物及其药学上可接受的盐已被披露，它们可作为GnRH拮抗剂，并因此可能对男性和女性的各种性激素相关和其他疾病的治疗有用。
• Antiatherosclerotic and hypolipidemic 4-(monoalkylamino)phenyl alkane,
  申请人：American Cyanamid Company

  公开号：US04348399A1

  公开（公告）日：1982-09-07

  This disclosure describes novel 4-(monoalkylamino)phenyl alkane, alkene and alkyne carbinols, aldehydes, carboxylic acids and derivatives useful as hypolipidemic and antiatherosclerotic agents.

  这份披露描述了作为降脂和抗动脉粥样硬化药物有用的新型4-(单烷基氨基)苯基烷烯、烯烃和炔烃羟基醇、醛、羧酸和衍生物。
• QUINAZOLINE DERIVATIVES
  申请人：Eggenweiler Hans Michael

  公开号：US20120238582A1

  公开（公告）日：2012-09-20

  Novel quinazolinamide derivatives of the formula (I), in which R 1 -R 4 and X have the meanings indicated in Claim 1 , are HSP90 inhibitors and can be used for the preparation of a medicament for the treatment of diseases in which the inhibition, regulation and/or modulation of HSP90 plays a role.

  式（I）中的新型喹唑啉酰胺衍生物，其中R1-R4和X具有权利要求书中指示的含义，是HSP90抑制剂，可用于制备用于治疗HSP90起作用的疾病的药物。