1-methylpiperidinium trifluoroacetate | 74888-70-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 1-methylpiperidinium trifluoroacetate
• 英文别名: 1-Methylpiperidine;2,2,2-trifluoroacetic acid；1-methylpiperidine;2,2,2-trifluoroacetic acid
• CAS: 74888-70-3
• 化学式: C₂HF₃O₂*C₆H₁₃N
• 分子量: 213.2
• InChiKey: CVXUSUNJAFQWTI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.02
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  44.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-甲基哌啶 、 三氟乙酸 反应 24.0h， 以82%的产率得到1-methylpiperidinium trifluoroacetate
  参考文献：
  名称：

  Electrochemical and physicochemical properties of cyclic amine-based Brønsted acidic ionic liquids

  摘要：

  Several low-cost ionic liquids (ILs) containing pyrrolidinium, piperidinium, or azepanium units as cations, and formate, trifluoroacetate, or hydrogen sulfate groups as anions, are synthesized. The electrochemical and physicochemical properties, such as viscosity, density, conductivity, electrochemical window of the ILs, and the diffusion coefficient of ferrocene in the ILs are studied. All ILs studied here are liquid at room temperature with a high ionic conductivity (up to 30.7 mS cm(-1)) at room temperature. Hydrogen sulfate-based ILs exhibits a larger electrochemical window (3.98-3.99V) than formate- and trifluoroacetate-based ILs (3.22-3.29 V). The results of this study can be used to choose the proper combination of cations and anions for the desired applications. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2010.09.084

文献信息

• [EN] SULFONAMIDE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE SULFONAMIDE ET LEURS UTILISATIONS
  申请人：NODTHERA LTD

  公开号：WO2020249669A1

  公开（公告）日：2020-12-17

  The present disclosure relates to compounds of Formula (I) or (II): and to their prodrugs, pharmaceutically acceptable salts, pharmaceutical compositions, methods of use, and methods for their preparation. The compounds disclosed herein are useful for inhibiting the maturation of cytokines of the IL-1 family by inhibiting inflammasomes and may be used in the treatment of disorders in which inflammasome activity is implicated, such as inflammatory, autoinflammatory and autoimmune diseases and cancers.

  本公开涉及式（I）或（II）的化合物，以及它们的前药、药用盐、药物组合物、使用方法和制备方法。本文披露的化合物可用于通过抑制炎症小体来抑制IL-1家族细胞因子的成熟，并可用于治疗涉及炎症小体活性的疾病，如炎症性、自身免疫性和自身免疫性疾病以及癌症。
• Heterocycle Derivatives As Histone Deacetylase (Hdac) Inhibitors
  申请人：Attenni Barbara

  公开号：US20090048228A1

  公开（公告）日：2009-02-19

  The present invention relates to compounds of formula I: or pharmaceutically acceptable salts or tautomers thereof, which are inhibitors of histone deacetylase (HDAC). The compounds of the present invention are useful for treating cellular proliferative diseases, including cancer. Further, the compounds of the present invention are useful for treating neurodegenerative diseases, schizophrenia and stroke among other diseases.

  本发明涉及以下式I的化合物：或其药用可接受的盐或互变异构体，这些化合物是组蛋白去乙酰化酶（HDAC）的抑制剂。本发明的化合物可用于治疗细胞增殖性疾病，包括癌症。此外，本发明的化合物还可用于治疗神经退行性疾病、精神分裂症和中风等其他疾病。
• Pyridinone and Pyridazinone Derivatives as Inhibitors of Poly (Adp-Ribose) Polymerase (Parp)
  申请人：Jones Philip

  公开号：US20090176765A1

  公开（公告）日：2009-07-09

  The present invention relates to compounds of formula I: and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly(ADP-ribose)polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischaemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes mellitus, neurodegenerative diseases, retroviral infections, retinal damage, skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.

  本发明涉及式I的化合物及其药用可接受的盐或互变异构体，这些化合物是多聚腺苷二磷酸核糖聚合酶（PARP）的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血症状、中风、肾衰竭、心血管疾病、除心血管疾病外的血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤、皮肤衰老和紫外线诱导的皮肤损伤，以及作为癌症治疗的化疗或放射敏感剂。
• Amide Substituted Indazole and Benzotriazole Derivatives as Poly(ADP-Ribose)Polymerase (PARP) Inhibitors
  申请人：Boueres Julia

  公开号：US20090275619A1

  公开（公告）日：2009-11-05

  The present invention relates to compounds of formula (I) and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of poly (ADP-ribose) polymerase (PARP) and thus useful for the treatment of cancer, inflammatory diseases, reperfusion injuries, ischemic conditions, stroke, renal failure, cardiovascular diseases, vascular diseases other than cardiovascular diseases, diabetes, neurodegenerative diseases, retroviral infection, retinal damage or skin senescence and UV-induced skin damage, and as chemo- or radiosensitizers for cancer treatment.

  本发明涉及式(I)化合物及其药学上可接受的盐或互变异构体，它们是聚(ADP-核糖)聚合酶(PARP)的抑制剂，因此可用于治疗癌症、炎症性疾病、再灌注损伤、缺血性疾病、中风、肾衰竭、心血管疾病、除心血管疾病外的血管疾病、糖尿病、神经退行性疾病、逆转录病毒感染、视网膜损伤或皮肤衰老和紫外线诱导的皮肤损伤的治疗，以及作为化疗或放疗增敏剂用于癌症治疗。
• SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS
  申请人：Branca Danila

  公开号：US20110183989A1

  公开（公告）日：2011-07-28

  The present invention relates to compounds of formula I: and pharmaceutically acceptable salts or tautomers thereof which are inhibitors of the Sonic Hedgehog pathway, in particular Smoantagonists. Thus the compounds of this invention are useful for the treatment of diseases associated with abnormal hedgehog pathway activation, including cancer, for example basal cell carcinoma, medulloblastoma, prostate, pancreatic, breast, colon, bone and small cell lung cancers, and cancers of the upper GI tract.

  本发明涉及公式I的化合物及其药学上可接受的盐或互变异构体，它们是Sonic Hedgehog途径的抑制剂，特别是Smo拮抗剂。因此，本发明的化合物对于治疗与异常刺猬途径激活相关的疾病是有用的，包括癌症，例如基底细胞癌、髓母细胞瘤、前列腺、胰腺、乳腺、结肠、骨骼和小细胞肺癌以及上消化道癌症。