3-Amino-4-phenyl-butyric acid; hydrochloride

• 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: 3-Amino-4-phenyl-butyric acid; hydrochloride
• 英文别名: 3-amino-4-phenylbutanoic acid;hydron;chloride
• 化学式: C₁₀H₁₃NO₂*ClH
• mdl: MFCD09263181
• 分子量: 215.68
• InChiKey: MQTMGKGSJOPWJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  63.3
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-Benzyloxycarbonylamino-4-phenyl-butyric acid ethyl ester 在 盐酸 、 甲酸 作用下， 生成 3-Amino-4-phenyl-butyric acid; hydrochloride
  参考文献：
  名称：

  N-, α-, and β-Substituted 3-Aminopropionic acids: design, syntheses and antiseizure activities

  摘要：

  A treatment for epilepsy is proposed based on analogues of 3-aminopropionic acid (beta-alanine), a putative neurotransmitter in the central nervous system (CNS). A model three point pharmacophore was proposed based on modelling data obtained from the study of antagonists for both the glial gamma-aminobutyric acid (GABA)-uptake site and the glycine co-agonist site of N-methyl-D-aspartate (NMDA) receptor. Three series of 3-aminopropionic acids containing, N-, alpha-, and beta-substituents, were designed and synthesized to probe the position and the size of a lipophilic binding pocket within the proposed pharmacophore. These analogues were tested in vivo for both their antiseizure activities and their neurologic toxicities. Among the fourteen novel 3-aminopropionic acids synthesized, eight were found to have promising antiseizure activity. This study shows that substitution on the N-terminus confers the greatest antiseizure activity, particularly against pilocarpine-induced seizures. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(02)00330-9

文献信息

• DUAL-ACTING PYRAZOLE ANTIHYPERTENSIVE AGENTS
  申请人：Blair Brooke

  公开号：US20110009409A1

  公开（公告）日：2011-01-13

  In one aspect, the invention relates to compounds having the formula: wherein: Ar, Z, R 3 , R 4 and R 5 are as defined in the specification, or a pharmaceutically acceptable salt thereof. These compounds have AT 1 receptor antagonist activity and neprilysin inhibition activity. In another aspect, the invention relates to pharmaceutical compositions comprising such compounds; methods of using such compounds; and process and intermediates for preparing such compounds.

  在一个方面，该发明涉及具有以下结构式的化合物： 其中：Ar、Z、R3、R4和R5如规范中定义，或其药学上可接受的盐。这些化合物具有AT1受体拮抗活性和神经氨酸酶抑制活性。在另一个方面，该发明涉及包含这些化合物的药物组合物；使用这些化合物的方法；以及制备这些化合物的过程和中间体。
• Novel N-(arylsulphonyl) amino acid derivatives, process for their preparation and pharmaceutical compositions containing them
  申请人：——

  公开号：US20030073641A1

  公开（公告）日：2003-04-17

  The invention relates to compounds of formula 1 in which R 1 to R 9 , R 16 and R 17 are as defined in claim 1. These compounds are pharmacologically active.

  本发明涉及公式1中的化合物，其中R1到R9，R16和R17如权利要求1所定义。这些化合物具有药理活性。
• US6015812A
  申请人：——

  公开号：US6015812A

  公开（公告）日：2000-01-18
• US6100278A
  申请人：——

  公开号：US6100278A

  公开（公告）日：2000-08-08
• US6313120B1
  申请人：——

  公开号：US6313120B1

  公开（公告）日：2001-11-06