ethyl α-[(1-carboxyethyl)amino]benzenebutanoate 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: ethyl α-[(1-carboxyethyl)amino]benzenebutanoate hydrochloride
• 英文别名: N-[1-(ethoxycarbonyl)-3-phenylpropyl]alanine hydrochloride；2-[(1-ethoxy-1-oxo-4-phenylbutan-2-yl)amino]propanoic acid;hydrochloride
• 化学式: C₁₅H₂₁NO₄*ClH
• 分子量: 315.797
• InChiKey: REBMBKWZEPICSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.04
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  75.6
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  t-butyl (dl)-octahydro-1H-indole-2-carboxylate hydrochloride 、 ethyl α-[(1-carboxyethyl)amino]benzenebutanoate hydrochloride 、 N,N'-羰基二咪唑 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 (2α, 3aβ, 7aβ)-1-[2-[(1-Carboethoxy-3-phenylpropyl)amino]-1-oxopropyl]octahydro-1H-indole-2-carboxylic Acid
  参考文献：
  名称：

  Substituted acyl derivatives of octahydro-1H-indole-2-carboxylic acids

  摘要：

  本发明提供了八氢-1H-吲哚-2-羧酸的取代酰基衍生物及其药学上可接受的盐，通过用适当活化的取代羧酸酰化适当取代的八氢-1H-吲哚，当需要时水解产物。本发明的化合物、其盐和药物组成物作为降压剂有用。

  公开号：

  US04350704A1
• 作为产物：
  描述：

  L-丙氨酸叔丁酯 、 2-溴-4-苯基丁酸乙酯 生成 ethyl α-[(1-carboxyethyl)amino]benzenebutanoate hydrochloride
  参考文献：
  名称：

  HOEFLE, M. L.;KLUTCHKO, S.

  摘要：

  DOI：

文献信息

• Substituted acyl derivatives of
  申请人：Warner-Lambert Company

  公开号：US04344949A1

  公开（公告）日：1982-08-17

  Substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids and the pharmaceutically acceptable salts thereof are produced by coupling a suitably substituted 1,2,3,4-tetrahydroisoquinoline with a suitably substituted amino acid and when desired hydrolyzing or removing protecting groups of the resulting product. The compounds of the invention, their salts and pharmaceutical compositions thereof are useful as antihypertensive agents.

  1,2,3,4-四氢异喹啉-3-羧酸的取代酰基衍生物及其药用盐是通过将适当取代的1,2,3,4-四氢异喹啉与适当取代的氨基酸偶联而制备的，如有需要，可水解或去除所得产物的保护基团。本发明的化合物、其盐及其药用组合物可用作降压药物。
• N-substituted amino acids as intermediates in the preparation of acyl
  申请人：Warner-Lambert Company

  公开号：US04532342A1

  公开（公告）日：1985-07-30

  N-substituted amino acids are described which when coupled with 1,2,3,4-tetrahydroisoquinolines result in substituted acyl derivatives of 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acids as anti-hypertensive agents. The novel intermediates are in turn prepared by reacting an amino acid such as alanine with 2-bromo-4-phenyl butanoic acid or an ester thereof.

  描述了N-取代氨基酸，当与1,2,3,4-四氢异喹啉偶联时，会产生1,2,3,4-四氢异喹啉-3-羧酸的取代酰衍生物，作为降压药物。这种新型中间体是通过将氨基酸（如丙氨酸）与2-溴-4-苯基丁酸或其酯反应制备而成。
• Substituted acyl derivatives of octahydro-1H-isoindole-1-carboxylic acids and esters
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0058567A1

  公开（公告）日：1982-08-25

  The invention provides substituted acyl derivatives of an octahydro-1H-isoindole-1-carboxylic acids and esters having the formula wherein R is hydrogen or lower alkyl, R1 is hydrogen, lower alkyl or benzyl, R2 is hydrogen or lower alkyl, Ar is phenyl or phenyl substituted with 1 or 2 substituents selected from fluorine, chlorine, bromine, lower alkyl, lower alkoxy, hydroxy or amino, m is 0 to 3, and X is two hydrogen atoms or one oxygen atom, wherein lower alkyl and lower alkoxy are straight or branched groups containing 1 to 4 carbon atoms, and the pharmaceutically acceptable basic salts thereof. The acids and esters, and their salts, are useful as antihypertensive agents.

  本发明提供了八氢-1H-异吲哚-1-羧酸的取代酰基衍生物和酯，其式为 其中R是氢或低级烷基，R1是氢、低级烷基或苄基，R2是氢或低级烷基，Ar是苯基或被1或2个选自氟、氯、溴、低级烷基、低级烷氧基、羟基或氨基的取代基取代的苯基，m是0至3，X是两个氢原子或一个氧原子，其中低级烷基和低级烷氧基是含有1至4个碳原子的直链或支链基团，以及它们的药学上可接受的碱式盐。这些酸和酯及其盐可用作降压药。
• Substituted acyl derivatives of 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylic acid
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0096157A2

  公开（公告）日：1983-12-21

  There are disclosed substituted acyl derivatives of 1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinoline-carboxylic acid having the following general formula: wherein R2 is a hydrogen atom or a methyl or ethyl radical, and pharmaceutically acceptable salts of the compound of formula I. The substituted acyl derivatives and the pharmaceutically acceptable salts thereof may be produced by coupling a suitably substituted 1,2,3,4-tetrahydroisoquinoline with a suitably substituted amino acid and, when desired, hydrolysing or removing the protecting groups of the resulting Crnvdnn Pnnnn product. The compounds of the invention, their salts and pharmaceutical compositions thereof are useful as antihypertensive agents.

  公开了具有以下通式的 1，2，3，4-四氢-6，7-二甲氧基-3-异喹啉-羧酸的取代酰基衍生物： 其中 R2 为氢原子或甲基或乙基，以及式 I 化合物的药学上可接受的盐。 取代的酰基衍生物及其药学上可接受的盐可通过将适当取代的 1,2,3,4-四氢异喹啉与适当取代的氨基酸偶联，并在需要时水解或除去所得 Crnvdnn Pnnnn 产物的保护基而制得。本发明的化合物、其盐类和药物组合物可用作降压药。
• Substituted acyl derivative of octahydro-1H-indole-2-carboxylic acid
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0088341A1

  公开（公告）日：1983-09-14

  There is disclosed the compound 1-[2-[(1-carbo- ethoxy-3-phenylpropyl)amino]-1-oxopropyl]-octahydro-1H-indole-2-carboxylic acid, and pharmaceutically acceptable salts thereof. The compound and the salt are useful for treating hypertension.

  本发明公开了化合物 1-[2-[(1-羧基乙氧基-3-苯基丙基)氨基]-1-氧代丙基]-八氢-1H-吲哚-2-羧酸及其药学上可接受的盐。该化合物和盐可用于治疗高血压。