2-(2,2,2-三氟乙氧基)乙胺 | 105939-65-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-(2,2,2-三氟乙氧基)乙胺
• 中文别名: 乙胺,2-(2,2,2-三氟乙氧基)-
• 英文名称: 2-(2,2,2-trifluoroethoxy)ethan-1-amine
• 英文别名: 2-(2,2,2-trifluoroethoxy)ethanamine
• CAS: 105939-65-9
• 化学式: C₄H₈F₃NO
• mdl: MFCD03767375
• 分子量: 143.109
• InChiKey: UJKUXHKKBUXJMN-UHFFFAOYSA-N

物化性质

• 沸点：
  119.6±35.0 °C(Predicted)
• 密度：
  1.182±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  9
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3,4,6-三氯哒嗪 、 2-(2,2,2-三氟乙氧基)乙胺 以 乙醇 为溶剂， 生成 3,6-dichloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-4-amine
  参考文献：
  名称：

  Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region

  摘要：

  We describe the design, synthesis and profiling of a novel series of PDE5 inhibitors. We take advantage of an alternate projection into the solvent region to identify compounds with excellent potency, selectivity and pharmacokinetic profiles. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.08.106
• 作为产物：
  描述：

  2,2,2-三氟乙醇 、 2-氯乙胺盐酸盐 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2,2,2-三氟乙氧基)乙胺
  参考文献：
  名称：

  Acetyl-Click Screening Platform Identifies Small-Molecule Inhibitors of Histone Acetyltransferase 1 (HAT1)

  摘要：

  DOI：

  10.1021/acs.jmedchem.3c00039

文献信息

• [EN] SUBSTITUTED BENZIMIDAZOLES, THEIR PREPARATION AND THEIR USE AS PHARMACEUTICALS<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS, PRÉPARATION ET UTILISATION DE CEUX-CI EN TANT QU'AGENTS PHARMACEUTIQUES
  申请人：NEOMED INST

  公开号：WO2017024412A1

  公开（公告）日：2017-02-16

  This application relates to substituted benzimidazoles of formula (I), compositions comprising them and their uses in the treatment of diseases and conditions in which inhibition of a bromodomain is indicated. For example, the application relates to substituted benzimidazoles and to their use as bromodomain inhibitors. The present application also relates to the treatment or prevention of proliferative disorders, auto-immune disorders, inflammatory disorders, dermal disorders, and neoplasm, including tumors and/or cancers.

  本申请涉及到式(I)的取代苯并咪唑化合物，包括它们的组合物以及它们在治疗疾病和病况中的用途，其中需要抑制溴结构域。例如，本申请涉及到取代苯并咪唑化合物及其作为溴结构域抑制剂的用途。本申请还涉及到治疗或预防增生性疾病、自身免疫性疾病、炎症性疾病、皮肤疾病以及新生物，包括肿瘤和/或癌症。
• 6 SUBSTITUTED IMIDAZOPYRAZINES FOR USE AS MPS-1 AND TKK INHIBITORS IN THE TREATMENT OF HYPERPROLIFERATIVE DISORDERS
  申请人：Koppitz Marcus

  公开号：US20140187548A1

  公开（公告）日：2014-07-03

  The present invention relates to substituted imidazopyrazine compounds of general formula (I) in which R 1 , R 2 , R 3 , R 4 and R 5 are as defined in the claims, to methods of and intermediates for preparing said compounds, to pharmaceutical compositions and combinations comprising said compounds and to the use of said compounds for manufacturing a pharmaceutical composition for the treatment or prophylaxis of a disease, in particular of a hyper-proliferative and/or angiogenesis disorder, as a sole agent or in combination with other active ingredients.

  本发明涉及通式（I）的取代咪唑吡嗪化合物，其中R1、R2、R3、R4和R5如权利要求中所定义，以及制备该化合物的方法和中间体，包括该化合物的药物组合物和组合物，以及用于制造用于治疗或预防疾病的药物组合物的该化合物的用途，特别是用作唯一的代理或与其他活性成分联合使用，用于治疗或预防增生过度和/或血管生成障碍的疾病。
• 3-Oxoisoindoline-1-carboxamides: Potent, State-Dependent Blockers of Voltage-Gated Sodium Channel Na_V1.7 with Efficacy in Rat Pain Models
  作者：Istvan Macsari、Yevgeni Besidski、Gabor Csjernyik、Linda I. Nilsson、Lars Sandberg、Ulrika Yngve、Kristofer Åhlin、Tjerk Bueters、Anders B. Eriksson、Per-Eric Lund、Elisabet Venyike、Sandra Oerther、Karin Hygge Blakeman、Lei Luo、Per I. Arvidsson

  DOI：10.1021/jm300623u

  日期：2012.8.9

  The voltage-gated sodium channel Na(V)1.7 is believed to be a critical mediator of pain sensation based on clinical genetic studies and pharmacological results. Clinical utility of nonselective sodium channel blockers is limited due to serious adverse drug effects. Here, we present the optimization, structure activity relationships, and in vitro and in vivo characterization of a novel series of Na(V)1.7 inhibitors based on the oxoisoindoline core. Extensive studies with focus on optimization of Na(V)1.7 potency, selectivity over Na(V)1.5, and metabolic stability properties produced several interesting oxoisoindoline carboxamides (16A, 26B, 28, 51, 60, and 62) that were further characterized. The oxoisoindoline carboxamides interacted with the local anesthetics binding site. In spite of this, several compounds showed functional selectivity versus Na(V)1.5 of more than 100-fold. This appeared to be a combination of subtype and state-dependent selectivity. Compound 28 showed concentration-dependent inhibition of nerve injury-induced ectopic in an ex vivo DRG preparation from SNL rats. Compounds 16A and 26B demonstrated concentration-dependent efficacy in preclinical behavioral pain models. The oxoisoindoline carboxamides series described here may be valuable for further investigations for pain therapeutics.
• Investigation of the pyrazinones as PDE5 inhibitors: Evaluation of regioisomeric projections into the solvent region
  作者：Robert O. Hughes、Todd Maddux、D. Joseph Rogier、Sharon Lu、John K. Walker、E. Jon Jacobsen、Jeanne M. Rumsey、Yi Zheng、Alan MacInnes、Brian R. Bond、Seungil Han

  DOI：10.1016/j.bmcl.2011.08.106

  日期：2011.11

  We describe the design, synthesis and profiling of a novel series of PDE5 inhibitors. We take advantage of an alternate projection into the solvent region to identify compounds with excellent potency, selectivity and pharmacokinetic profiles. (C) 2011 Elsevier Ltd. All rights reserved.
• Acetyl-Click Screening Platform Identifies Small-Molecule Inhibitors of Histone Acetyltransferase 1 (HAT1)
  作者：Jitender D. Gaddameedi、Tristan Chou、Benjamin S. Geller、Amithvikram Rangarajan、Tarun A. Swaminathan、Danielle Dixon、Katherine Long、Caiden J. Golder、Van A. Vuong、Selene Banuelos、Robert Greenhouse、Michael P. Snyder、Andrew M. Lipchik、Joshua J. Gruber

  DOI：10.1021/acs.jmedchem.3c00039

  日期：2023.4.27