2-(哌啶-1-基)噻唑-4-羧酸 | 952182-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-(哌啶-1-基)噻唑-4-羧酸
• 英文名称: 2-piperidino-1,3-thiazole-4-carboxylic acid
• 英文别名: 2-(piperidin-1-yl)thiazole-4-carboxylic acid；2-piperidin-1-yl-1,3-thiazole-4-carboxylic acid
• CAS: 952182-68-2
• 化学式: C₉H₁₂N₂O₂S
• mdl: MFCD09027189
• 分子量: 212.272
• InChiKey: CTYVDXOBZLKERL-UHFFFAOYSA-N

物化性质

• 熔点：
  186～188℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  81.7
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2934100090
• 危险性防范说明：
  P261,P280,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H332,H335
• 储存条件：
  2-8°C，干燥密封保存。

反应信息

• 作为反应物：
  描述：

  2-(哌啶-1-基)噻唑-4-羧酸 在 N-甲基吗啉 、 碳酸氢钠 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 、 碘甲烷 作用下， 以 四氢呋喃 、 水 、 乙腈 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  [EN] COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING
  [FR] COMPOSÉS ET COMPOSITIONS UTILISÉS EN TANT QUE MODULATEURS DE LA SIGNALISATION DES TLR

  摘要：

  本公开涉及化合物、包含这些化合物的药物组合物，以及在治疗炎症性疾病和与炎症信号传导过程相关的某些神经系统疾病的方法中使用这些化合物或用于治疗的药物。这些神经系统疾病包括但不限于与蛋白质错误折叠有关的疾病。

  公开号：

  WO2022067114A1
• 作为产物：
  描述：

  3-溴丙酮酸 、 1-哌啶硫代羰胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 2-(哌啶-1-基)噻唑-4-羧酸
  参考文献：
  名称：

  A convenient procedure for the solution phase preparation of 2-aminothiazole combinatorial libraries

  摘要：

  A convenient procedure for the solution phase preparation of 2-aminothiazole combinatorial libraries is described. The library preparation is simple, practical, and effective, generating compounds based around a known pharmacophore in high yield and purity. Furthermore, the procedure tolerates a diverse range of functionality in its substrates and is notable in allowing the preparation of compounds containing both free acids and bases without recourse to protection. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0960-894x(96)00241-7

文献信息

• PIM KINASE INHIBITORS AND PREPARATION METHODS AND USE IN MEDICINAL MANUFACTURE THEREOF
  申请人：GE Yu

  公开号：US20140162998A1

  公开（公告）日：2014-06-12

  A Pim kinase inhibitor compound having the structure represented by Formula I, and isomers, diastereomers, enantiomers, tautomers, and pharmaceutically acceptable salts thereof. The compounds significantly inhibit Pim kinase activity and can be used to prepare drugs for treating Pim kinase mediated diseases, such as cancers, autoimmune diseases, allergic reactions, or organ transplant rejection. Also provided are methods for preparing the compounds represented by Formula I.

  一种具有由化学式I表示的结构的Pim激酶抑制剂化合物，以及其异构体、对映异构体、对映体、互变异构体和药学上可接受的盐。这些化合物显著抑制Pim激酶活性，可用于制备用于治疗Pim激酶介导疾病的药物，如癌症、自身免疫疾病、过敏反应或器官移植排斥。还提供了制备由化学式I表示的化合物的方法。
• [EN] COMPOSITIONS FOR TREATING AND/OR PREVENTING CELL OR TISSUE NECROSIS SPECIFICALLY TARGETING CATHEPSIN C AND/OR CELA1 AND/OR CELA3A AND/OR STRUCTURALLY RELATED ENZYMES THERETO<br/>[FR] COMPOSITIONS DE TRAITEMENT ET/OU DE PRÉVENTION DE LA NÉCROSE TISSULAIRE OU CELLULAIRE CIBLANT SPÉCIFIQUEMENT LA CATHEPSINE C ET/OU CELA1 ET/OU CELA3A ET/OU DES ENZYMES Y ÉTANT STRUCTURELLEMENT APPARENTÉES
  申请人：NATHAN ILANA

  公开号：WO2016162870A1

  公开（公告）日：2016-10-13

  Inhibitor compounds and agents of Cathepsin C, CELA1, CELA3A and/or structurally related molecules thereto, compositions comprising same and uses thereof in the inhibition and/or prevention of cell and/or tissue necrosis is described. Various applications for the described compounds, and combination therapies are described as well.

  描述了抑制剂化合物和Cathepsin C、CELA1、CELA3A和/或与之结构相关的分子的作用剂，包括含有它们的组合物及其在抑制和/或预防细胞和/或组织坏死中的用途。还描述了所述化合物的各种应用和联合疗法。
• AZOLECARBOXAMIDE DERIVATIVE
  申请人：Sugasawa Keizo

  公开号：US20090286766A1

  公开（公告）日：2009-11-19

  Provided is an agent for treating or preventing urinary frequency, urinary urgency and urinary, incontinence which are associated with overactive bladder, a lower urinary tract disease such as interstitial cystitis and chronic prostatitis accompanied by lower urinary tract pain, and various diseases accompanied by pain. A novel azolecarboxamide derivative in which an azole ring such as thioazole or oxazole is bonded to a benzene ring, pyridine ring or pyrimidine ring through carboxamide was confirmed to have a potent trkA receptor-inhibitory activity and found to be an agent for treating or preventing lower urinary tract disease and various diseases accompanied by pain, which is excellent in efficacy and safety, and thus the present invention was accomplished.

  提供了一种用于治疗或预防与过度活跃膀胱、下泌尿道疾病（如间质性膀胱炎和慢性前列腺炎伴随下泌尿道疼痛）以及伴随疼痛的各种疾病相关的尿频、尿急和尿失禁的药剂。一种新型的唑烷羧酰胺衍生物，其中唑环（如硫唑环或噁唑环）通过羧酰胺键连接到苯环、吡啶环或嘧啶环上，被证实具有强效的trkA受体抑制活性，并被发现是一种用于治疗或预防下泌尿道疾病和伴随疼痛的各种疾病的药剂，其疗效和安全性优异，因此本发明得以完成。
• PIM KINASE INHIBITOR AND PREPARATION METHOD AND USE IN MEDICINAL MANUFACTURE THEREOF
  申请人：Jikai Biosciences Inc.

  公开号：EP2743271A1

  公开（公告）日：2014-06-18

  The present invention provided a PIM kinase inhibitor - a compound with a general structural formula represented by Formula I. Also provided are isomers, diastereomers, enantiomers, tautomers, and pharmaceutically acceptable salts represented by Formula 1. E, J1, J2, Q, X, Y, Z and m in Formula I are defined in Claim 1. A PIM biochemical assay shows that the compounds (1-63) of the present invention can significant inhibit PIM-1 kinase activity. At 3 micromolar concentration, the compounds of the present invention can inhibit PIM-2 and PIM-3 activities by as much as 100%. Therefore, the PIM kinase inhibitors of the present invention can be used to prepare drugs to treat PIM kinase mediated diseases such as cancers, autoimmune diseases, allergic reactions, or organ transplant rejection, thus have great clinical value. Also provided are preparation methods for the compounds represented by Formula 1.

  本发明提供了一种PIM激酶抑制剂--通式结构式由式I代表的化合物。还提供了由式 1 表示的异构体、非对映异构体、对映体、同系物和药学上可接受的盐。式 I 中的 E、J1、J2、Q、X、Y、Z 和 m 在权利要求 1 中定义。PIM生化试验表明，本发明的化合物（1-63）能显著抑制PIM-1激酶的活性。在 3 微摩尔浓度下，本发明化合物对 PIM-2 和 PIM-3 活性的抑制率高达 100%。因此，本发明的 PIM 激酶抑制剂可用于制备治疗 PIM 激酶介导的疾病（如癌症、自身免疫性疾病、过敏反应或器官移植排异反应等）的药物，具有极大的临床价值。本发明还提供了式 1 所代表化合物的制备方法。
• Substituted thiazoles for preventing and/or treating cell or tissue necrosis
  申请人：ELA PHARMA LTD

  公开号：US10968185B2

  公开（公告）日：2021-04-06

  Inhibitor compounds and agents of Cathepsin C, CELA1, CELA3A and/or structurally related molecules thereto, compositions comprising same and uses thereof in the inhibition and/or prevention of cell and/or tissue necrosis are described. The compounds include thiazoles of Formula II, where G1 is an optionally substituted pyrrolidine, an optionally substituted pyridine, an optionally substituted aryl, an optionally substituted piperidine, an optionally substituted piperazine, an optionally substituted imidazolidine, or an optionally substituted pyrazolidine. G3 is or G3 is an optionally substituted alkyl, an optionally substituted aryl or an optionally cyloalkyl. G2 is an optionally substituted alkyl, an optionally substituted aryl, an optionally substituted cyloalkyl or an optionally substituted heterocycle. Various applications for the described compounds, and combination therapies are described as well.

  本发明描述了 Cathepsin C、CELA1、CELA3A 和/或其结构相关分子的抑制剂化合物和制剂、包含这些化合物和制剂的组合物及其在抑制和/或预防细胞和/或组织坏死中的用途。这些化合物包括式 II 的噻唑类化合物、 其中 G1 是任选取代的吡咯烷、任选取代的吡啶、任选取代的芳基、任选取代的哌啶、任选取代的哌嗪、任选取代的咪唑烷或任选取代的吡唑烷。G3 是 或 G3 是任选取代的烷基、任选取代的芳基或任选取代的环烷基。G2 是任选取代的烷基、任选取代的芳基、任选取代的环烷基或任选取代的杂环。还介绍了所述化合物的各种应用以及组合疗法。