δ-benzyl N-(tert-butyloxycarbonyl)-DL-aminoadipate | 112295-37-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: δ-benzyl N-(tert-butyloxycarbonyl)-DL-aminoadipate
• 英文别名: 5-benzyloxycarbonyl-2-(L-tertiarybutoxy-carbonylamino)pentanoic acid；2-[(2-Methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-phenylmethoxyhexanoic acid
• CAS: 112295-37-1
• 化学式: C₁₈H₂₅NO₆
• 分子量: 351.4
• InChiKey: QAMQBROWEMDMOK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  102
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  δ-benzyl N-(tert-butyloxycarbonyl)-DL-aminoadipate 在 palladium on activated charcoal 吡啶 、 草酰氯 、 氢气 、 溶剂黄146 、 三乙胺 、 N,N-二甲基甲酰胺 、 N,N'-二环己基碳二亚胺 、 锌 作用下， 以 二氯甲烷 、 乙酸乙酯 、 苯 为溶剂， 生成 (6R,7R)-7-(5-tert-Butoxycarbonylamino-5-carboxy-pentanoylamino)-3-carbamoyloxymethyl-7-methoxy-8-oxo-5-oxa-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester
  参考文献：
  名称：

  Sendo, Yuji; Konoike, Toshiro; Murakami, Masayuki, Heterocycles, 1981, vol. 16, # 4, p. 599 - 603

  摘要：

  DOI：
• 作为产物：
  描述：

  DL-a-氨基己二酸 在 氢氧化钾 、 potassium phosphate 、 硫酸 作用下， 以 丙酮 为溶剂， 生成 δ-benzyl N-(tert-butyloxycarbonyl)-DL-aminoadipate
  参考文献：
  名称：

  Sendo, Yuji; Konoike, Toshiro; Murakami, Masayuki, Heterocycles, 1981, vol. 16, # 4, p. 599 - 603

  摘要：

  DOI：

文献信息

• Amino acid derivatives and their use as phospholipase A.sub.2 inhibitor
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US06110933A1

  公开（公告）日：2000-08-29

  The present invention relates to a novel fatty acid derivative of the following formula: ##STR1## wherein R.sup.1 is acyl group, etc.; R.sup.2 is acyl(lower)alkyl; R.sup.3 is lower alkyl, etc.; R.sup.4 is hydrogen, etc.; and X is --O--, etc; and a pharmaceutically acceptable salt thereof, which is useful as a medicament; the processes for the preparation of said fatty acid derivative or a salt thereof; a pharmaceutical composition comprising said fatty acid derivative or a pharmaceutically acceptable salt thereof; etc.

  本发明涉及以下结构的新型脂肪酸衍生物：其中R.sup.1是酰基，等等；R.sup.2是酰(较低)烷基；R.sup.3是较低烷基，等等；R.sup.4是氢，等等；X是--O--，等等；以及其药学上可接受的盐，其作为药物有用；制备所述脂肪酸衍生物或其盐的方法；包含所述脂肪酸衍生物或其药学上可接受的盐的药物组合物；等等。
• Design, synthesis, and biological activity of a peptide mimic of vasopressin
  作者：William M. Bryan、Judith C. Hempel、William F. Huffman、Garland R. Marshall、Michael L. Moore、Joanne Silvestri、Frans L. Stassen、James S. Stefankiewicz、Lynn Sulat、R. Lee Webb

  DOI：10.1021/jm00399a009

  日期：1988.4

  Our molecular modeling studies suggested that the conformational effects of the "cystine-line" residue Pmp1-Cys6 on the cyclohexapeptide ring of the vasopressin antagonist [Pmp1,D-Phe2,Val4]AVP might be mimicked by substitution of D-aminoadipic acid at position 6 and cyclization of its side-chain carboxyl to the alpha-amine of residue 2. The peptide was prepared with DL-aminoadipic acid, and following cyclization, the two diastereomeric peptides were separated and purified by preparative high-performance liquid chromatography. The structure of each was confirmed by amino acid analysis and fast atom bombardment mass spectrometry. The chirality of the aminoadipic acid residue of each peptide was determined by chiral gas chromatography. The circular dichroism spectrum of each peptide was run and compared with the appropriate agonist and antagonist peptide standards. These peptides demonstrated in vitro poor V2-receptor affinity and an inability to inhibit or stimulate vasopressin-induced adenylate cyclase formation, suggesting that they lack one or more key features of the agonist/antagonist pharmacophore.
• AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0741697A1

  公开（公告）日：1996-11-13
• CASPASE INHIBITORS AND METHODS OF USE THEREOF
  申请人：Conatus Pharmaceuticals Inc.

  公开号：US20200283396A1

  公开（公告）日：2020-09-10

  Provided herein are compounds of formula I, compositions comprising the compounds and method of treating various diseases with the compounds and compositions.
• US6110933A
  申请人：——

  公开号：US6110933A

  公开（公告）日：2000-08-29