(4-nitrophenyl)alanine | 125376-35-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (4-nitrophenyl)alanine
• 英文别名: N-p-nitrophenyl alanine；N-(4-nitro-phenyl)-alanine；N-(4-Nitro-phenyl)-alanin；α-(4-Nitro-anilino)-propionsaeure；4-nitro-L-phenyl-alanine；(4-nitrophenyl)-D-alanine；2-(4-nitroanilino)propanoic acid
• CAS: 125376-35-4
• 化学式: C₉H₁₀N₂O₄
• 分子量: 210.189
• InChiKey: IABGQMFXJVXIMY-UHFFFAOYSA-N

物化性质

• 沸点：
  452.9±30.0 °C(Predicted)
• 密度：
  1.413±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  95.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (4-nitrophenyl)alanine 在 亚硝酸异戊酯 作用下， 以 二甲醇缩甲醛 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  Browne, Duncan L.; Vivat, Jerome F.; Plant, Andrew, Journal of the American Chemical Society, 2009, vol. 131, p. 7762 - 7769

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(4-nitro-phenyl)-alanine ethyl ester 在 氢氧化钾 作用下， 生成 (4-nitrophenyl)alanine
  参考文献：
  名称：

  Bischoff, Chemische Berichte, 1897, vol. 30, p. 2764

  摘要：

  DOI：

文献信息

• Pretargeting methods and compounds
  申请人：NeoRx Corporation

  公开号：US05541287A1

  公开（公告）日：1996-07-30

  Methods, compounds, compositions and kits that relate to pretargeted delivery of diagnostic and therapeutic agents are disclosed. In particular, methods for radiometal labeling of biotin, as well as related compounds, are described. Articles of manufacture useful in pretargeting methods are also discussed.

  涉及预定位传递诊断和治疗药剂的方法、化合物、组合物和试剂盒已被披露。具体来说，描述了生物素的放射金属标记方法，以及相关化合物。还讨论了在预定位方法中有用的制品。
• [EN] HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS<br/>[FR] COMPOSES D'AMIDE HETEROCYCLIQUES UTILISES EN TANT QU'INHIBITEURS DE L'ADHESION CELLULAIRE
  申请人：MERCK & CO., INC.

  公开号：WO1998053814A1

  公开（公告）日：1998-12-03

  (EN) Compounds of formula (I) are antagonists of VLA-4 and/or $g(a)4$g(b)7, and as such are useful in the inhibition or prevention of cell adhesion and cell-adhesion mediated pathologies. These compounds may be formulated into pharmaceutical compositions and are suitable for use in the treatment of asthma, allergies, inflammation, multiple sclerosis, and other inflammatory and autoimmune disorders.(FR) Des composés de formule (I) sont des antagonistes de VLA-4 et/ou de $g(a)4$g(b)7 et sont, en tant que tels, utiles pour inhiber ou empêcher l'adhésion cellulaire et pour lutter contre des pathologies induites par l'adhésion cellulaire. Ces composés peuvent être formulés sous forme de compositions pharmaceutiques et sont adaptés pour être utilisés dans le traitement de l'asthme, des allergies, des inflammations, de la sclérose en plaques et d'autres maladies inflammatoires et auto-immunes.

  化合物的公式(I)是VLA-4和/或$g(a)4$g(b)7的拮抗剂，因此可用于抑制或预防细胞黏附和细胞黏附介导的病理反应。这些化合物可以制成药物组合物，适用于治疗哮喘、过敏、炎症、多发性硬化症和其他炎症和自身免疫性疾病。
• Benzoxazine and benzothiazine derivatives and pharmaceutical compositions containing them
  申请人：Bhuniya Debnath

  公开号：US20050113368A1

  公开（公告）日：2005-05-26

  The present invention relates to novel antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic compounds of formula (I) their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, to a process for preparing such compounds. More particularly, the present invention relates to novel alkyl carboxylic acids of the general, their derivatives, their analogs, their tautomeric forms, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them, to a process for preparing such compounds. The present invention also relates to processes for the preparation of the compounds of formula (I), novel intermediates, processes for their preparation, their use in the preparation of the above said compounds and their use as antidiabetic, hypolipidemic, antiobesity and hypocholesterolemic compounds.

  本发明涉及公式（I）的新型抗糖尿病、降脂、抗肥胖和降胆固醇化合物及其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和包含它们的药学上可接受的组合物，以及制备这些化合物的方法。更具体地说，本发明涉及一般的烷基羧酸及其衍生物、类似物、互变异构体、立体异构体、多晶形态、药学上可接受的盐、药学上可接受的溶剂和包含它们的药学上可接受的组合物，以及制备这些化合物的方法。本发明还涉及公式（I）化合物的制备方法、新型中间体的制备方法、以及它们在制备上述化合物和作为抗糖尿病、降脂、抗肥胖和降胆固醇化合物的用途。
• Novel beta-phenyl-alpha-oxysubstituted propionic derivatives: process for its preparation and their use in the preparation of pharmaceutically important compounds
  申请人：Bhuniya Debnath

  公开号：US20110105748A1

  公开（公告）日：2011-05-05

  The present invention relates to novel propionic acid derivatives. More particularly, the present invention relates to beta-phenyl alpha-oxysubstituted propionic acids of the general formula (I). The present invention also relates to processes for the preparation of compounds of the formula (I) and their use in the preparation of compounds of formula (II).

  本发明涉及新型丙酸衍生物。更具体地，本发明涉及一般式（I）的β-苯基α-氧代取代丙酸。本发明还涉及制备式（I）化合物的方法及其在制备式（II）化合物中的应用。
• Synthesis of Hydantoin Androgen Receptor Antagonists and Study on Their Antagonistic Activity
  作者：Longjun Ma、Yan Zhou、Dehua Yang、Ming-Wei Wang、Wei Lu、Jiyu Jin

  DOI：10.3390/molecules27185867

  日期：——

  receptor antagonistic activities. Among them, compounds 6a/6c/7g/19a/19b exhibited excellent androgen receptor antagonistic activity, which was consistent with or even superior to enzalutamide. In addition, compounds 19a and 19b exhibited better antiproliferative activity than enzalutamide in prostate cancer cells. The results show that compound 19a has great potential as a new AR antagonist.

  合成了含有吡啶基团的羟甲硫基乙内酰脲、羟甲硫基乙内酰脲和乙内酰脲，以研究它们的雄激素受体拮抗活性。其中，化合物6a/6c/7g / 19a / 19b表现出优异的雄激素受体拮抗活性，与恩杂鲁胺一致甚至优于恩杂鲁胺。此外，化合物19a和19b在前列腺癌细胞中表现出比恩杂鲁胺更好的抗增殖活性。结果表明，化合物19a作为新型AR拮抗剂具有巨大的潜力。