(S)-2-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 1-tert-butyl ester | 1151752-55-4

• 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-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 1-tert-butyl ester
• 英文别名: Boc-thionoAla-Asp-OtBu；(3S)-4-[(2-methylpropan-2-yl)oxy]-3-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanethioyl]amino]-4-oxobutanoic acid
• CAS: 1151752-55-4
• 化学式: C₁₆H₂₈N₂O₆S
• 分子量: 376.474
• InChiKey: BEJFODGACYBPMK-UWVGGRQHSA-N

物化性质

• 密度：
  1.184±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  25
• 可旋转键数：
  10
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  146
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  (S)-2-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 1-tert-butyl ester 、 三甘醇单苄醚 在 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.5h， 以88%的产率得到(S)-2-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 4-{2-[2-(2-benzyloxyethoxy)ethoxy]ethyl} ester 1-tert-butyl ester
  参考文献：
  名称：

  The in vitro transport of model thiodipeptide prodrugs designed to target the intestinal oligopeptide transporter, PepT1

  摘要：

  研究表明，硫代二肽载体系统能有效促进一系列共价结合的分子（包括苄基、苯甲酰基和布洛芬衍生物）通过肠道肽转运体PepT1进行转运，显示了其作为合理药物传递靶点的潜力。

  DOI：

  10.1039/b909221h
• 作为产物：
  描述：

  (S)-2-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 4-benzyl ester 1-tert-butyl ester 在 氨 、 sodium 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以70%的产率得到(S)-2-((S)-2-tert-butoxycarbonylaminothiopropionylamino)succinic acid 1-tert-butyl ester
  参考文献：
  名称：

  Targeting ketone drugs towards transport by the intestinal peptide transporter, PepT1

  摘要：

  酮基nabumetone的硫代二肽前药显示出在体外对PepT1具有亲和性，并能被其转运。

  DOI：

  10.1039/b818606e

文献信息

• Targeting ketone drugs towards transport by the intestinal peptide transporter, PepT1
  作者：David Foley、Patrick Bailey、Myrtani Pieri、David Meredith

  DOI：10.1039/b818606e

  日期：——

  Thiodipeptide prodrugs of the ketone nabumetone are shown to have affinity for, and be transported by, PepT1 in vitro.

  酮基nabumetone的硫代二肽前药显示出在体外对PepT1具有亲和性，并能被其转运。
• A cyclosporine derivative is a substrate of the oligopeptide transporter PepT1
  作者：David W. Foley、Isabel Bermudez、Patrick D. Bailey、David Meredith

  DOI：10.1039/c5md00575b

  日期：——

  Cyclosporine was attached to a thiodipeptide carrier, yielding conjugate 7; this is a substrate for PepT1 with oral bioavailability potential.

  环孢霉素被连接到一种硫代二肽载体上，形成共轭物7；这是PepT1的底物，具有口服生物利用度潜力。
• Polycarbonate containing compounds and methods related thereto
  申请人：Vanderbilt University

  公开号：US10308774B2

  公开（公告）日：2019-06-04

  Disclosed herein are crosslinked polycarbonates, composition thereof and methods thereof. The crosslinked polycarbonates can be prepared from allyl or epoxy polycarbonates. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本文公开了交联聚碳酸酯、其组合物及其方法。交联聚碳酸酯可由烯丙基或环氧聚碳酸酯制备。本摘要旨在作为一种扫描工具，用于特定技术领域的搜索，并非对本发明的限制。
• POLYCARBONATE CONTAINING COMPOUNDS AND METHODS RELATED THERETO
  申请人：VANDERBILT UNIVERSITY

  公开号：US20150087790A1

  公开（公告）日：2015-03-26

  Disclosed herein are crosslinked polycarbonates, composition thereof and methods thereof. The cross-linked polycarbonates can be prepared from allyl or epoxy polycarbonates. Described herein is the formation of functionalized poly(carbonate) particles with an established intermolecular cross-linking process. Six types of ‘nanosponges’ were prepared with the differentiation in crosslinking density and crosslinking chemistry. The intermolecular chain cross-linking process was investigated via the epoxide amine reaction and the thiol-ene click reaction.
• Polycarbonate Containing Compounds and Methods Related Thereto
  申请人：Vanderbilt University

  公开号：US20170166710A1

  公开（公告）日：2017-06-15

  Disclosed herein are crosslinked polycarbonates, composition thereof and methods thereof. The crosslinked polycarbonates can be prepared from allyl or epoxy polycarbonates. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.