Aspartylphenylalanin-amid | 15233-55-3

• 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: Aspartylphenylalanin-amid
• 英文别名: (α-aspartyl)phenylalaninamide；4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-azaniumyl-4-oxobutanoate
• CAS: 15233-55-3
• 化学式: C₁₃H₁₇N₃O₄
• 分子量: 279.296
• InChiKey: KPAUJSXYKQJSSO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  benzyl 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoate 生成 Aspartylphenylalanin-amid
  参考文献：
  名称：

  HENKLEIN, P.;GEORGI, M.;LOTH, F.;DAUTZENBERG, H.

  摘要：

  DOI：

文献信息

• Method for preparing aspartylcyclohexyla laninamide
  申请人：——

  公开号：US20010034460A1

  公开（公告）日：2001-10-25

  Disclosure is a method for preparing &agr;-aspartyl-&bgr;-cyclohexylalaninamide, comprising carrying out a first step of amide formation of an &agr;-aspartyl phenylamine ester of general formula (II) 1 wherein: R is a C 1 -C 4 alkyl radical, and then performing a catalytic hydrogenation of the resulting &agr;-aspartyl phenylalaninamide ammonium salt, optionally released previously from its salt, and optionally transforming it into an addition acis salt. 2 However, the process is fairly lengthy and expensive, since it involves starting materials, such as cyclohexylalanine and the monobenzyl ester of benzyloxycarbonylaspartic acid, which are not commercially available, in particular on an industrial scale, which starting materials have to be protected beforehand before they are employed in the process. Thus, the industrial preparation of the biologically active product is extremely laborious.

  揭示（Disclosure）是一种制备α-天冬氨酸-β-环己基丙氨酰胺的方法，包括进行第一步酰胺形成反应，反应物为通式（II）的α-天冬氨酸苯胺酯，其中R为C1-C4烷基基团，然后对所得的α-天冬氨酸苯丙氨酰胺铵盐进行催化氢化，可以先将其从盐中释放，然后将其转化为酸盐。然而，该过程相当冗长且昂贵，因为它涉及到起始材料，例如环己氨酸和苯甲酰氧羰基天冬氨酸单苄酯，这些材料在特别是在工业规模上不可获得，因此这些起始材料必须在使用之前进行保护。因此，生物活性产物的工业制备非常费力。
• HENKLEIN, P.;GEORGI, M.;LOTH, F.;DAUTZENBERG, H.
  作者：HENKLEIN, P.、GEORGI, M.、LOTH, F.、DAUTZENBERG, H.

  DOI：——

  日期：——
• PROCEDE DE PREPARATION DE L'ASPARTYL CYCLOHEXYLALANINAMIDE
  申请人：Aventis Pharma S.A.

  公开号：EP1084138B1

  公开（公告）日：2002-01-30
• Sincalide Formulations
  申请人：Metcalfe Edmund C.

  公开号：US20100047175A1

  公开（公告）日：2010-02-25

  The invention features sincalide formulations that include an effective amount of sincalide, a bulking agent/tonicity adjuster, a stabilizer, a surfactant, a chelator, and a buffer. The invention also features kits and methods for preparing improved sincalide formulations as well as methods for treating, preventing, and diagnosing gall bladder-related disorders using sincalide formulations.
• US6384272B2
  申请人：——

  公开号：US6384272B2

  公开（公告）日：2002-05-07