δ-benzyl DL-aminoadipate | 80446-57-7

• 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 DL-aminoadipate
• 英文别名: DL-α-aminoadipic acid γ-benzyl ester；2-Amino-6-(benzyloxy)-6-oxohexanoic acid；2-amino-6-oxo-6-phenylmethoxyhexanoic acid
• CAS: 80446-57-7
• 化学式: C₁₃H₁₇NO₄
• 分子量: 251.282
• InChiKey: UQLRAAASUFVOLL-UHFFFAOYSA-N

物化性质

• 沸点：
  415.0±40.0 °C(Predicted)
• 密度：
  1.214±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  18
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  89.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  δ-benzyl DL-aminoadipate 在 palladium on activated charcoal 吡啶 、 氢氧化钾 、 potassium phosphate 、 草酰氯 、 氢气 、 三乙胺 、 N,N-二甲基甲酰胺 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 乙酸乙酯 、 丙酮 、 苯 为溶剂， 生成 (6R,7S)-3-Acetoxymethyl-7-[5-tert-butoxycarbonylamino-5-(2,2,2-trichloro-ethoxycarbonyl)-pentanoylamino]-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 、 苯甲醇 在 硫酸 作用下， 生成 δ-benzyl 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

• Polyhydroxyalkanoic Acid Having Vinyl, Ester, Carboxyl or Sulfonic Acid Group and Producing Method Therefor
  申请人：Kenmoku Takashi

  公开号：US20080064828A1

  公开（公告）日：2008-03-13

  The invention is to provide a novel polyhydroxyalkanoate having a reactive function group within the molecule and a producing method therefor In a polyhydroxyalkanoate containing a unit having a vinyl group in a side chain, such vinyl group is utilized for deriving a polyhydroxyalkanoate comprising a carboxyl group or a unit having an amide group and a sulfonic acid group.

  本发明旨在提供一种新型聚羟基烷酸酯，其分子内具有反应性功能团，并提供其制备方法。在含有侧链中具有乙烯基团的聚羟基烷酸酯中，利用该乙烯基团来获得含有羧基或含有酰胺基和磺酸基的聚羟基烷酸酯。
• Peptide sweeteners. 5. Side chain homologs relating zwitterionic and trifluoroacetylated amino acid anilide and dipeptide sweeteners
  作者：Masao Kawai、Rolf Nyfeler、Judd M. Berman、Murray Goodman

  DOI：10.1021/jm00346a013

  日期：1982.4

  Side-chain homologues of sweet trifluoroacetyl-alpha-L-aspartyl-p-cyanoanilide have been synthesized and tasted. Removal of the trifluoroacetyl group only changes the potency of sweet taste, not the taste property. These results have been compared with the structure-taste relationships of dipeptide sweeteners. An informative discontinuity of taste effects was found to exist with novel aminomalonyl dipeptide derivatives. The results are explained on topochemical grounds.
• 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.
• Cyclodextrin-based polymers for delivering the therapeutic agents covalently attached thereto
  申请人：Cerulean Pharma Inc.

  公开号：EP2402036B1

  公开（公告）日：2018-02-14
• 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.