4-[(2-氨基-1,3-噻唑-4-基)甲基]哌嗪-1-羧酸叔丁酯 | 856418-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 4-[(2-氨基-1,3-噻唑-4-基)甲基]哌嗪-1-羧酸叔丁酯
• 英文名称: tert-butyl 4-((2-aminothiazol-4-yl)methyl)piperazine-1-carboxylate
• 英文别名: Tert-butyl 4-[(2-amino-1,3-thiazol-4-yl)methyl]piperazine-1-carboxylate
• CAS: 856418-80-9
• 化学式: C₁₃H₂₂N₄O₂S
• 分子量: 298.409
• InChiKey: IIGGWVSIWMLZRW-UHFFFAOYSA-N

物化性质

• 沸点：
  429.6±40.0 °C(Predicted)
• 密度：
  1.248±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  99.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-[(2-氨基-1,3-噻唑-4-基)甲基]哌嗪-1-羧酸叔丁酯 、 6-acetyl-8-(4-methoxybenzyl)-5-methyl-2-(methylsulfonyl)pyrido[2,3-d]pyrimidin-7(8H)-one 以 甲苯 为溶剂， 以19%的产率得到tert-butyl 4-((2-((6-acetyl-8-(4-methoxybenzyl)-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)thiazol-4-yl)methyl)piperazine-1-carboxylate
  参考文献：
  名称：

  [EN] PYRIDOPYRIMIDINE COMPOUNDS AND METHODS OF THEIR USE
  [FR] COMPOSÉS PYRIDOPYRIMIDINE ET LEURS MÉTHODES D'UTILISATION

  摘要：

  公开号：

  WO2020006210A9
• 作为产物：
  描述：

  4-(chloromethyl)thiazol-2-amine hydrochloride 、 N-Boc-哌嗪 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 12.0h， 以74%的产率得到4-[(2-氨基-1,3-噻唑-4-基)甲基]哌嗪-1-羧酸叔丁酯
  参考文献：
  名称：

  EP1695961

  摘要：

  公开号：

文献信息

• [EN] SUBSTITUTED PYRIMIDINES AND METHODS OF USE<br/>[FR] PYRIMIDINES SUBSTITUÉES ET MÉTHODES D'UTILISATION
  申请人：THERAVANCE BIOPHARMA R&D IP LLC

  公开号：WO2021203131A1

  公开（公告）日：2021-10-07

  The present disclosure provides inhibitors of activin receptor-like kinase 5 (ALK5). Also disclosed are methods to modulate the activity of ALK5 and methods of treatment of disorders mediated by ALK5.

  本公开提供了抑制活性素受体样激酶5（ALK5）的抑制剂。还公开了调节ALK5活性的方法以及治疗由ALK5介导的疾病的方法。
• Urea derivative, process for producing the same, and use
  申请人：Kubo Keiji

  公开号：US20070093501A1

  公开（公告）日：2007-04-26

  The present invention provides a urea derivative or a salt thereof, which is useful as a therapeutic agent for thrombosis. The derivative is represented by Formula (I): wherein Cy is an aromatic hydrocarbon group which may be substituted or an aromatic heterocyclic group which may be substituted; R 1 is a hydrogen atom or a hydrocarbon group which may be substituted; V is —C(O)—, —S(O)—, or —S(O) 2 —; W is —N(R 2 )—, —O—, or a bond (wherein R 2 is a hydrogen atom or a hydrocarbon group which may be substituted); X is alkylene which may be substituted; Y is —C(O)—, —S(O)—, or —S(O) 2 —; Z is a bond, a chain hydrocarbon group which may be substituted, or —N═; ring A is a non-aromatic nitrogen-containing heterocyclic ring which may be substituted; ring B is a nitrogen-containing heterocyclic ring which may be substituted; and [Chemical formula 2] , are each independently a single bond or a double bond; provided that R 1 may be bonded to R 2 to form a non-aromatic nitrogen-containing heterocyclic ring and that R 2 may be bonded to a substituent of X to form a non-aromatic nitrogen-containing heterocyclic ring which may be substituted.

  本发明提供一种尿素衍生物或其盐，其作为治疗血栓症的治疗剂是有用的。该衍生物由公式（I）表示：其中，Cy是芳香族羟基烃基或芳香族杂环基，可以被取代；R1是氢原子或可以被取代的碳氢基团；V是-C（O）-，-S（O）-或-S（O）2-；W是-N（R2）-，-O-或键（其中R2是氢原子或可以被取代的碳氢基团）；X是可以被取代的烷基；Y是-C（O）-，-S（O）-或-S（O）2-；Z是键，可以被取代的链烃基团或-N═；环A是非芳香族含氮杂环环，可以被取代；环B是含氮杂环环，可以被取代；而[化学式2]都是单键或双键；但是，R1可以与R2连接形成非芳香族含氮杂环环，而R2可以与X的取代基连接形成可以被取代的非芳香族含氮杂环环。
• QUINAZOLINONE, QUINOLONE AND RELATED ANALOGS AS SIRTUIN MODULATORS
  申请人：Vu Chi B.

  公开号：US20110306612A1

  公开（公告）日：2011-12-15

  Provided herein are novel sirtuin-modulating compounds and methods of use thereof. The sirtuin-modulating compounds may be used for increasing the lifespan of a cell, and treating and/or preventing a wide variety of diseases and disorders including, for example, diseases or disorders related to aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting disorders, inflammation, cancer, and/or flushing as well as diseases or disorders that would benefit from increased mitochondrial activity. Also provided are compositions comprising a sirtuin-modulating compound in combination with another therapeutic agent.

  本文提供了新型的sirtuin调节化合物及其使用方法。这些sirtuin调节化合物可用于延长细胞寿命，并治疗和/或预防各种疾病和障碍，包括与衰老或压力有关的疾病或障碍、糖尿病、肥胖症、神经退行性疾病、心血管疾病、血液凝块疾病、炎症、癌症和/或潮红，以及需要增加线粒体活性的疾病或障碍。还提供了包含sirtuin调节化合物和另一种治疗剂的组合物。
• UREA DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1695961A1

  公开（公告）日：2006-08-30

  The present invention provides a urea derivative or a salt thereof, which is useful as a therapeutic agent for thrombosis. The derivative is represented by Formula (I): [Chemical formula I] wherein Cy is an aromatic hydrocarbon group which may be substituted or an aromatic heterocyclic group which may be substituted; R1 is a hydrogen atom or a hydrocarbon group which may be substituted; V is -C(O)-, -S(O)-, or -S(O)2-; W is -N(R2)-, -O-, or a bond (wherein R2 is a hydrogen atom or a hydrocarbon group which may be substituted); X is alkylene which may be substituted; Y is -C(O)-, -S(O)-, or -S(O)2-; Z is a bond, a chain hydrocarbon group which may be substituted, or -N=; ring A is a non-aromatic nitrogen-containing heterocyclic ring which may be substituted; ring B is a nitrogen-containing heterocyclic ring which may be substituted; and [Chemical formula 2] ------‾ , ------̲ are each independently a single bond or a double bond; provided that R1 may be bonded to R2 to form a non-aromatic nitrogen-containing heterocyclic ring and that R2 may be bonded to a substituent of X to form a non-aromatic nitrogen-containing heterocyclic ring which may be substituted.

  本发明提供了一种脲衍生物或其盐，可用作血栓形成的治疗剂。该衍生物由式（I）表示： [化学式 I］ 其中 Cy 是可被取代的芳香烃基团或可被取代的芳香杂环基团；R1 是氢原子或可被取代的烃基团；V 是-C(O)-、-S(O)-或-S(O)2-；W 是-N(R2)-、-O-或键（其中 R2 是氢原子或可被取代的烃基团）；X是可被取代的亚烷基；Y是-C(O)-、-S(O)-或-S(O)2-；Z是键、可被取代的链烃基或-N=；环 A是可被取代的非芳香族含氮杂环；环 B是可被取代的含氮杂环；以及 [化学式 2］ ------‾ , ------̲ 各自独立地为单键或双键；但 R1 可与 R2 键合形成非芳香族含氮杂环，R2 可与 X 的取代基键合形成可被取代的非芳香族含氮杂环。
• N‐Substituted piperazine‐coupled imidazo[2,1‐<i>b</i>]thiazoles as inhibitors of <i>Mycobacterium tuberculosis</i>: Synthesis, evaluation, and docking studies
  作者：Nagaraju Chirra、Naga Pranathi Abburi、Estharla Madhu Rekha、Ravi kumar Pedapati、Rakesh Kumar Bollikanda、Manikanta Murahari、Dharmarajan Sriram、Balasubramanian Sridhar、Srinivas Kantevari

  DOI：10.1002/ddr.22153

  日期：2024.2

  their antitubercular effectiveness was evaluated. A three-step reaction sequence involving the condensation of 1,3-dichloroacetone and thiourea, coupling with substituted piperazines to give the intermediates 5(a–d) and cyclization with substituted α-bromoacetophenones produced the desired imidazothiazole derivatives 7(a–x) in excellent yields. In vitro screening of new derivatives against Mycobacterium

  合成了一系列创新的N-取代哌嗪连接的咪唑并噻唑衍生物7(a-x) ，并评估了它们的抗结核功效。三步反应顺序包括 1,3-二氯丙酮和硫脲的缩合，与取代的哌嗪偶联得到中间体5(a–d) ，并与取代的α-溴苯乙酮环化产生所需的咪唑并噻唑衍生物7(a–x)产量优异。针对结核分枝杆菌H37Rv 的新衍生物的体外筛选结果显示， 7k （最低抑制浓度 [MIC]：0.78 μg/mL）以及7g和7h （MIC：1.56 μg/mL）是有效的命中化合物。此外，对有前景的化合物7k 、 7g和7h的对接研究表明，最佳的分子相互作用是与作为靶蛋白的结核分枝杆菌磺酰基 PBTZ 复合的 DprE1（PDB ID：6G83）。