(S)-2-((R)-2-Benzyloxycarbonylamino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid 5-tert-butyl ester 1-methyl ester | 35793-61-4

• 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: (S)-2-((R)-2-Benzyloxycarbonylamino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid 5-tert-butyl ester 1-methyl ester
• CAS: 35793-61-4
• 化学式: C₂₇H₄₀N₂O₉
• 分子量: 536.623
• InChiKey: AHWPIRNKZCCQSD-UXHICEINSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.18
• 重原子数：
  38.0
• 可旋转键数：
  12.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  146.33
• 氢给体数：
  2.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  (S)-2-((R)-2-Benzyloxycarbonylamino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid 5-tert-butyl ester 1-methyl ester 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 3-[(2S,5R)-5-(2-tert-Butoxycarbonyl-ethyl)-3,6-dioxo-piperazin-2-yl]-propionic acid tert-butyl ester
  参考文献：
  名称：

  Bivalent inhibition of β-Tryptase: distance scan of neighboring subunits by dibasic inhibitors

  摘要：

  Based on bifunctional diketopiperazines as templates and m-aminomethyl-phenylalanine as arginine mimetic, we have synthesized a new class of structurally related dibasic tryptase inhibitors with systematically increasing spacer length. These compounds were used to scan the distance between the active sites of two neighboring subunits of the beta-tryptase tetramer. The K-i-values obtained are a function of the distance between the terminal amino groups and indicate optimal binding of inhibitors with 29-31 bonds between the amino groups. These experimental data are in full agreement with predictions derived from a novel modeling program that allows the docking of bivalent ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00063-x
• 作为产物：
  描述：

  (S)-5-叔丁基1-甲基2-氨基戊二酸酯 、 Z-D-叔丁基谷氨酸 在 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 N,N-二异丙基乙胺 作用下， 以 氯仿 为溶剂， 生成 (S)-2-((R)-2-Benzyloxycarbonylamino-4-tert-butoxycarbonyl-butyrylamino)-pentanedioic acid 5-tert-butyl ester 1-methyl ester
  参考文献：
  名称：

  Bivalent inhibition of β-Tryptase: distance scan of neighboring subunits by dibasic inhibitors

  摘要：

  Based on bifunctional diketopiperazines as templates and m-aminomethyl-phenylalanine as arginine mimetic, we have synthesized a new class of structurally related dibasic tryptase inhibitors with systematically increasing spacer length. These compounds were used to scan the distance between the active sites of two neighboring subunits of the beta-tryptase tetramer. The K-i-values obtained are a function of the distance between the terminal amino groups and indicate optimal binding of inhibitors with 29-31 bonds between the amino groups. These experimental data are in full agreement with predictions derived from a novel modeling program that allows the docking of bivalent ligands. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00063-x

文献信息

• Polypeptides. Part XVI. The synthesis of some diastereoisomeric poly-(γ-t-butyl glutamate)s
  作者：D. I. Marlborough、H. N. Rydon

  DOI：10.1039/p19720000001

  日期：——

  The synthesis, by conventional methods, of six diastereoisomeric oligopeptides of γ-t-butyl glutamate and the polymerisation of five of them, by means of dicyclohexylcarbodi-imide in acetonitrile, are described. The resulting sequential diastereoisomeric poly-(γ-t-butyl glutamate)s had molecular weights in the range 6500–42,000.

  描述了通过常规方法合成γ-叔丁基谷氨酸的6种非对映异构体寡肽，以及其中的5种借助二环己基碳二亚胺在乙腈中的聚合。由此产生的顺序非对映异构体聚（γ-叔丁基谷氨酸）的分子量范围为6500–42,000。