tert-butyl (3S)-5-chloro-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate | 253159-20-5

• 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: tert-butyl (3S)-5-chloro-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
• CAS: 253159-20-5
• 化学式: C₁₇H₂₂ClNO₅
• 分子量: 355.818
• InChiKey: FPFOATJLCJFWCY-ZDUSSCGKSA-N

物化性质

• 沸点：
  504.7±50.0 °C(Predicted)
• 密度：
  1.204±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  24
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (3S)-5-chloro-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate 在 palladium on activated charcoal 盐酸 、 sodium tetrahydroborate 、 氢气 作用下， 以 四氢呋喃 、 甲醇 、 乙醇 为溶剂， 反应 1.0h， 生成
  参考文献：
  名称：

  Expanding the scope of PNA-encoded libraries: divergent synthesis of libraries targeting cysteine, serine and metallo-proteases as well as tyrosine phosphatases

  摘要：

  Seven PNA-encoded combinatorial libraries targeting proteases and phosphatases with covalent reversible and irreversible mechanism-based inhibitors were prepared. The libraries were synthesized using modified PNA monomers, which dramatically increase the water solubility of the libraries in biologically relevant buffers. The libraries were shown to selectively inhibit targeted enzymes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.033
• 作为产物：
  描述：

  重氮甲烷 、 N-苄氧羰基-L-天门冬氨酸 4-叔丁酯 在 N-甲基吗啉 、 氯甲酸异丁酯 、 盐酸 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 tert-butyl (3S)-5-chloro-4-oxo-3-(phenylmethoxycarbonylamino)pentanoate
  参考文献：
  名称：

  Expanding the scope of PNA-encoded libraries: divergent synthesis of libraries targeting cysteine, serine and metallo-proteases as well as tyrosine phosphatases

  摘要：

  Seven PNA-encoded combinatorial libraries targeting proteases and phosphatases with covalent reversible and irreversible mechanism-based inhibitors were prepared. The libraries were synthesized using modified PNA monomers, which dramatically increase the water solubility of the libraries in biologically relevant buffers. The libraries were shown to selectively inhibit targeted enzymes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.03.033

文献信息

• Synthetic analgesic peptides of RgIA analogs
  申请人：University of Utah Research Foundation

  公开号：US10947274B1

  公开（公告）日：2021-03-16

  The present invention relates to synthetic analgesic peptides that are analogs of the α-conotoxin peptide RgIA and their use for treating pain and other disorders.

  本发明涉及人工合成的镇痛肽，它们是α-芋螺毒素肽RgIA的类似物，以及它们在治疗疼痛和其他疾病方面的用途。
• Modifications and uses of conotoxin peptides
  申请人：Kineta Chronic Pain, LLC

  公开号：US11014970B2

  公开（公告）日：2021-05-25

  The present disclosure describes analog conotoxin peptides of the α-conotoxin peptide RgIA. These analog conotoxin peptides block the α9α10 subtype of the nicotinic acetylcholine receptor (nAChR) and can be used for treating pain and inflammation including inflammatory pain, cancer related pain, and neuropathic pain. The RgIA analogs described in the present invention include a variety of sequence modifications and chemical modifications that are introduced to improve the drug-like characteristics of RgIA analogs and thereby increase their therapeutic value.

  本公开介绍了α-锥毒素肽RgIA的类似锥毒素肽。这些类似康诺毒素肽能阻断烟碱乙酰胆碱受体（nAChR）的α9α10亚型，可用于治疗疼痛和炎症，包括炎症性疼痛、癌症相关疼痛和神经性疼痛。本发明所述的 RgIA 类似物包括各种序列修饰和化学修饰，这些修饰的引入是为了改善 RgIA 类似物的类药物特性，从而提高其治疗价值。
• MODIFICATIONS AND USES OF CONOTOXIN PEPTIDES
  申请人：Kineta Chronic Pain, Llc.

  公开号：EP3215172A1

  公开（公告）日：2017-09-13
• [EN] MODIFICATIONS AND USES OF CONOTOXIN PEPTIDES<br/>[FR] MODIFICATIONS ET UTILISATIONS DE PEPTIDES DE CONOTOXINE
  申请人：KINETA THREE LLP

  公开号：WO2016073949A1

  公开（公告）日：2016-05-12

  The present disclosure describes analog conotoxin peptides of the α-conotoxin peptide RgIA. These analog conotoxin peptides block the α9α10 subtype of the nicotinic acetylcholine receptor (nAChR) and can be used for treating pain and inflammation including inflammatory pain, cancer related pain, and neuropathic pain. The RgIA analogs described in the present invention include a variety of sequence modifications and chemical modifications that are introduced to improve the drug-like characteristics of RgIA analogs and thereby increase their therapeutic value.