(S)-(3-(tert-butoxy)-1-hydrazino-1-oxopropan-2-yl)carbamic acid tert-butyl ester | 1192373-39-9

• 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)-(3-(tert-butoxy)-1-hydrazino-1-oxopropan-2-yl)carbamic acid tert-butyl ester
• 英文别名: tert-butyl (S)-(3-(tert-butoxy)-1-hydrazinyl-1-oxopropan-2-yl)carbamate；tert-Butyl (S)-(3-(tert-butoxy)-1-hydrazinyl-1-oxopropan-2-yl)carbamate；tert-butyl N-[(2S)-1-hydrazinyl-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]carbamate
• CAS: 1192373-39-9
• 化学式: C₁₂H₂₅N₃O₄
• 分子量: 275.348
• InChiKey: OSYJBUUCRBUFCM-QMMMGPOBSA-N

物化性质

• 沸点：
  444.0±40.0 °C(Predicted)
• 密度：
  1.078±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  103
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (S)-(3-(tert-butoxy)-1-hydrazino-1-oxopropan-2-yl)carbamic acid tert-butyl ester 在 palladium on activated charcoal 氢气 、 碘 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 甲醇 、 乙腈 为溶剂， 反应 46.0h， 生成 tert-butyl (4S)-4-amino-4-[5-[(1S)-2-[(2-methylpropan-2-yl)oxy]-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3,4-oxadiazol-2-yl]butanoate
  参考文献：
  名称：

  Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof

  摘要：

  含有至少一个氨基酸侧链的单价化合物与核心分子结合，该核心分子还包括与所述核心分子结合的亲核团。单价化合物还包括一个大环环，一个亲核团和一个间隔基团。单价化合物可以组合成双价和三价化合物，其中一些可能具有标记标签。公开了双价化合物的生产方法和拟议的用途。

  公开号：

  US20120232268A1
• 作为产物：
  描述：

  methyl N-(tert-butoxycarbonyl)-O-(tert-butyl)-L-serinate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 18.0h， 以98%的产率得到(S)-(3-(tert-butoxy)-1-hydrazino-1-oxopropan-2-yl)carbamic acid tert-butyl ester
  参考文献：
  名称：

  Dipeptide Mimics, Libraries Combining Two Dipeptide Mimics with a Third Group, and Methods for Production Thereof

  摘要：

  含有至少一个氨基酸侧链的单价化合物与核心分子结合，该核心分子还包括与所述核心分子结合的亲核团。单价化合物还包括一个大环环，一个亲核团和一个间隔基团。单价化合物可以组合成双价和三价化合物，其中一些可能具有标记标签。公开了双价化合物的生产方法和拟议的用途。

  公开号：

  US20120232268A1

文献信息

• Insulin Derivatives Conjugated with Structurally Well Defined Branched Polymers
  申请人：Behrens Carsten

  公开号：US20090036353A1

  公开（公告）日：2009-02-05

  Insulin conjugated with structurally well defined, bifurcated and trifurcated polymers can be use by pulmonary delivery for systemic absorption through the lungs to reduce or eliminate the need for administering other insulins by injection.

  胰岛素与结构明确定的双分支和三分支聚合物结合后，可以通过肺部给药进行系统吸收，从而减少或消除通过注射给予其他胰岛素的需要。
• PEPTIDOMIMETIC COMPOUNDS AS IMMUNOMODULATORS
  申请人：AURIGENE DISCOVERY TECHNOLOGIES LIMITED

  公开号：US20130237580A1

  公开（公告）日：2013-09-12

  The present invention relates to novel peptidomimetic compounds as therapeutic agents capable of inhibiting the programmed cell death 1 (PD1) signalling pathway. The invention also relates to derivatives of the therapeutic agents. The invention also encompasses the use of the said therapeutic agents and derivatives for treatment of disorders via immunopotentiation comprising inhibition of immunosuppressive signal induced due to PD-1, PD-L1, or PD-L2 and therapies using them.

  本发明涉及作为治疗剂的新型肽类似物化合物，能够抑制程序性细胞死亡1（PD1）信号通路。该发明还涉及这些治疗剂的衍生物。该发明还包括利用所述治疗剂和衍生物治疗通过免疫增强来抑制由于PD-1、PD-L1或PD-L2引起的免疫抑制信号的障碍，并使用它们进行治疗的疗法。
• 作为PD-L1抑制剂的杂环类化合物
  申请人：南京圣和药物研发有限公司

  公开号：CN108863963B

  公开（公告）日：2022-05-27

  本发明属于医药化学领域，涉及一类作为PD‑L1抑制剂的杂环类化合物及其应用，具体地，本发明涉及式A所示的化合物或其异构体、药学上可接受的盐、溶剂化物或前药，它们的制备方法以及含有这些化合物的药物组合物和这些化合物或组合物用于治疗癌症或者感染类疾病的用途。
• [EN] 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE DERIVATIVES AS IMMUNOMODULATORS<br/>[FR] DÉRIVÉS 1,3,4-OXADIAZOLE ET 1,3,4-THIADIAZOLE SERVANT D'IMMUNOMODULATEURS
  申请人：AURIGENE DISCOVERY TECH LTD

  公开号：WO2015033301A1

  公开（公告）日：2015-03-12

  The present invention relates to 1,3,4-oxadiazole and 1,3,4-thiadiazole compounds as therapeutic agents capable of inhibiting the programmed cell death 1 (PD1) signalling pathway. The invention also refers to derivatives of the therapeutic agents. The invention also encompasses the use of the said therapeutic agents and derivatives for treatment of disorders via immunopotentiation comprising inhibition of immunosuppressive signal induced due to PD-1, PD-L1, or PD-L2 and therapies using them.

  本发明涉及1,3,4-噁二唑和1,3,4-噻二唑化合物作为治疗剂，能够抑制程序性细胞死亡1（PD1）信号通路。本发明还涉及该治疗剂的衍生物。本发明还包括使用该治疗剂和衍生物治疗通过免疫增强抑制PD-1、PD-L1或PD-L2引起的免疫抑制信号的疾病和使用它们的疗法。
• Universal Peptidomimetics
  作者：Eunhwa Ko、Jing Liu、Lisa M. Perez、Genliang Lu、Amber Schaefer、Kevin Burgess

  DOI：10.1021/ja1071916

  日期：2011.1.26

  This paper concerns peptidomimetic scaffolds that can present side chains in conformations resembling those of amino acids in secondary structures without incurring excessive entropic or enthalpic penalties. Compounds of this type are referred to here as minimalist mimics. The core hypothesis of this paper is that small sets of such scaffolds can be designed to analogue local pairs of amino acids (including noncontiguous ones) in any secondary structure; i.e., they are universal peptidomimetics. To illustrate this concept, we designed a set of four peptidomimetic scaffolds. Libraries based on them were made bearing side chains corresponding to many of the protein-derived amino acids. Modeling experiments were performed to give an indication of kinetic and thermodynamic accessibilities of conformations that can mimic secondary structures. Together, peptidomimetics based on these four scaffolds can adopt conformations that resemble almost any combination of local amino acid side chains in any secondary structure. Universal peptidomimetics of this kind are likely to be most useful in the design of libraries for high-throughput screening against diverse targets. Consequently, data arising from submission of these molecules to the NIH Molecular Libraries Small Molecule Repository (MLSMR) are outlined.