N-(4-氯苯基)-beta-丙氨酸 | 21617-19-6

• 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
• 中文名称: N-(4-氯苯基)-beta-丙氨酸
• 中文别名: N-(4-氯苯基)-BETA-丙氨酸
• 英文名称: 3-(4-Chloranilino)-propionsaeure
• 英文别名: 3-(4-Chloroanilino)propanoic acid
• CAS: 21617-19-6
• 化学式: C₉H₁₀ClNO₂
• 分子量: 199.637
• InChiKey: YQOYIDOVKCGQTJ-UHFFFAOYSA-N

物化性质

• 溶解度：
  >29.9 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990
• 储存条件：
  2-8°C

反应信息

• 作为反应物：
  描述：

  N-(4-氯苯基)-beta-丙氨酸 在 N-(4-chlorophenyl)-N-(4,9-dihydro-4,9-dioxonaphtho-[2,3-d]thiazol-2-yl)-β-alanine 作用下， 以 甲苯 为溶剂， 反应 24.0h， 以73%的产率得到3-(4-chlorophenylamino)propanehydrazide
  参考文献：
  名称：

  Synthesis and antimicrobial activity of N-(4-chlorophenyl)-β-alanine derivatives with an azole moiety

  摘要：

  N-(4-Chlorophenyl)-beta-alanine was shown to be a useful synthetic intermediate for synthesis of azole heterocycles. Their structure was characterized by IR, mass, and NMR spectroscopy, and elemental analysis. Some of the synthesized compounds had antibacterial activity against Rhizobium radiobacter, as determined by use of the diffusion technique.

  DOI：

  10.1007/s00706-013-1074-8
• 作为产物：
  描述：

  对氯苯胺 在 sodium hydroxide 、 溶剂黄146 作用下， 生成 N-(4-氯苯基)-beta-丙氨酸
  参考文献：
  名称：

  Further Study of the Synthesis of 4-Hydroxyquinolines from β-Anilinopropionic and Butyric Acids

  摘要：

  DOI：

  10.1021/ja01174a002

文献信息

• Fused, Tricyclic Sulfonamide Inhibitors of Gamma Secretase
  申请人：Konradi W. Andrei

  公开号：US20080021056A1

  公开（公告）日：2008-01-24

  The invention provides compounds of formula I: or pharmaceutically salts thereof where R 1 , R 2 , and the A, B, and C-rings are as defined herein. Compounds of formula I are useful in treating or preventing cognitive disorders, such as Alzheimer's disease. The invention also encompasses pharmaceutical compositions comprising compounds or salts of formula I, methods of preparing the desired compounds, and methods of treating cognitive disorders, such as Alzheimer's disease, using the compounds or salts of formula I.

  该发明提供了公式I的化合物： 或其药用盐，其中R 1 ，R 2 和A、B和C环如本文所定义。公式I的化合物在治疗或预防认知障碍，如阿尔茨海默病方面是有用的。该发明还涵盖了包括公式I的化合物或盐的药物组合物，制备所需化合物的方法，以及使用公式I的化合物或盐治疗认知障碍，如阿尔茨海默病的方法。
• Substituted piperazines and methods of use
  申请人：——

  公开号：US20030220324A1

  公开（公告）日：2003-11-27

  Selected substituted piperazine compounds are effective for prophylaxis and treatment of diseases, such as obesity and the like. The invention encompasses novel compounds, analogs, prodrugs and pharmaceutically acceptable salts thereof, pharmaceutical compositions and methods for prophylaxis and treatment of diseases and other maladies or conditions involving activation of the melanocortin receptor. The subject invention also relates to processes for making such compounds as well as to intermediates useful in such processes.

  选择的替代哌嗪化合物对于预防和治疗疾病，如肥胖等，具有有效性。该发明涵盖了新型化合物、类似物、前药和其药用盐，以及用于预防和治疗涉及黑素皮质素受体激活的疾病和其他疾病或病症的药物组合物和方法。该发明还涉及制备这类化合物的方法，以及在这些过程中有用的中间体。
• Pyridocarbazole derivatives having cGMP-PDE inhibitory activity
  申请人：Mochida Pharmaceutical Co., Ltd.

  公开号：US06018046A1

  公开（公告）日：2000-01-25

  The invention relates to novel pyridocarbazole derivatives having highly selective action in inhibiting cyclic GMP-phosphodiesterase (hereinafter abbreviated as cGMP-PDE), processes for producing such derivatives, agents containing at least one of such derivatives as an active ingredient for preventing and/or treating pulmonary hypertension, ischemic heart diseases or diseases against which the cGMP-PDE inhibitory action is effective, and intermediates useful for the production of pyridocarbazole derivatives.

  这项发明涉及具有高度选择性作用的新型吡啶并咔唑衍生物，用于抑制环磷酸鸟苷磷酸二酯酶（以下简称为cGMP-PDE）的作用，生产这种衍生物的过程，含有至少一种这种衍生物作为活性成分的药剂，用于预防和/或治疗肺动脉高压、缺血性心脏病或对抗cGMP-PDE抑制作用有效的疾病，以及用于生产吡啶并咔唑衍生物的中间体。
• Kinetics and mechanism of thermal gas-phase elimination of α- and β- (N-arylamino)propanoic acid: experimental and theoretical analysis
  作者：Sundus A. Al-Awadi、Mariam R. Abdallah、Mohamad A. Hasan、Nouria A. Al-Awadi

  DOI：10.1016/j.tet.2004.01.087

  日期：2004.3

  2-(N-Phenylamino)propanoic acid 1a and 3-(N-phenylamino)-propanoic acid 2a together with four of their aryl analogues were pyrolysed in the gas-phase. The reactions were homogeneous and free from catalytic and radical pathways. Analysis of the pyrolysate of 1 showed the elimination products to be carbon monoxide, acetaldehyde and aniline, while the pyrolysate of 2 reveals the formation of acrylic acid in addition

  2-（N-苯基氨基）丙酸1a和3-（N-苯基氨基）丙酸2a及其四个芳基类似物在气相中热解。反应是均相的，没有催化和自由基途径。分析1的热解产物显示消除产物为一氧化碳，乙醛和苯胺，而2的热解产物显示除苯胺外还形成丙烯酸。使用从头算SCF方法对2进行热解的理论研究为涉及4元环状过渡态的反应途径提供了支持。
• Integrin antagonists useful as anticancer agents
  申请人：Bloxham Jason

  公开号：US20060116383A1

  公开（公告）日：2006-06-01

  The invention relates to compounds of the Formula 1 and to pharmaceutically acceptable salts and solvates thereof, wherein A, X 2 , X 4 , X 5 and X 1 are as defined herein. The invention also relates to methods of treating abnormal cell growth in mammals by administering the compounds of Formula 1 and to pharmaceutical compositions for treating such disorders which contain the compounds of Formula 1.

  该发明涉及公式1的化合物，以及其药用可接受的盐和溶剂化合物，其中A、X2、X4、X5和X1的定义如本文所述。该发明还涉及通过给予公式1的化合物来治疗哺乳动物体内的异常细胞增长的方法，以及用于治疗这类疾病的含有公式1化合物的药物组合物。