2-(2-(pyrrolidin-1-yl)ethoxy)ethan | 79089-37-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 2-(2-(pyrrolidin-1-yl)ethoxy)ethan
• 英文别名: 1-(2-Ethoxyethyl)pyrrolidine
• CAS: 79089-37-5
• 化学式: C₈H₁₇NO
• mdl: MFCD29964589
• 分子量: 143.229
• InChiKey: CMXVZKXLGXHBSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (6Li,15N)-lithium 2,2,4,6,6-pentamethylpiperidide 、 2-(2-(pyrrolidin-1-yl)ethoxy)ethan 以 甲苯 、 正戊烷 为溶剂， 生成 、
  参考文献：
  名称：

  Lithium 2,2,6,6-Tetramethylpiperidide and Lithium 2,2,4,6,6-Pentamethylpiperidide:  Influence of TMEDA and Related Chelating Ligands on the Solution Structures. Characterization of Higher Cyclic Oligomers, Cyclic Dimers, Open Dimers, and Monomers

  摘要：

  Spectroscopic investigations of 2,2,6,6-tetramethylpiperidide (LiTMP) and the conformationally locked (but otherwise isostructural) lithium 2,2,4,6,6-pentamethylpiperidide (LiPMP) are described. Li-6 and N-15 NMR spectroscopic studies of [Li-6]LiPMP and [Li-6,N-15]LiPMP in hydrocarbon solution reveal a mixture comprised of four isomeric cyclic tetramers (C-4h, D-2h, C-2v, and C-s) and one isomeric cyclic trimer(C-3h). These results are compared with the aggregation numbers and conformational preferences of lithium 2,2,6,6-tetramethylpiperidide (LiTMP) in the solid state studied by Lappert and co-workers. In the presence of N,N,N',N'-tetramethylethylenediamine (TMEDA), [Li-6,N-15]LiPMP affords monomer and open dimer to the exclusion of solvated cyclic dimer. The open dimer undergoes a degenerate intramolecular rearrangement. Spectroscopic studies in TMEDA/THF mixtures reveal an unexpected competitive solvation and implicate the observable THF-solvated cyclic dimer to possess one THF per Li. Dimethylethylamine (a monodentate analog of TMEDA) and N,N,N',N'-tetramethylpropylenediamine (a six-membered ring chelating analog of TMEDA) are inferior as ligands for LiPMP. Investigations of LiPMP in the presence of other bidentate ligands reveal related monomers and open dimers whose proportions depend upon ligand structure and concentration. The relative binding constants and binding energies to the LiPMP monomer are reported. Ligands studied include the following: N,N,N',N'-tetraethylethylenediamine, N,N-diethyl-N',N'-dimethylethylenediamine, N,N'-diethyl-N,N'-dimethylethylenediamine, N-ethyl-N,N',N'-trimethylethylenediamine, 1,2-dipyrrolidinoethane, 1,2-dipiperidinoethane, 1-(dimethylamino)-2-pyrrolidinoethane, 1-(dimethylamino)-2-methoxyethane, 1-(dimethylamino)-2-ethoxyethane, 1-azetidino-2-methoxyethane, 1-methoxy-2-pyrrolidinoethane, 1-methoxy-2-piperidinoethane, 1-ethoxy-2-pyrrolidinoethane, trans-N,N,N',N'-tetramethylcyclohexanediamine, trans-1-(dimethylamino)-2-methoxycyclohexane, and sparteine.

  DOI：

  10.1021/jo970520l

文献信息

• COMBINATION OF KINASE INHIBITORS AND USES THEREOF
  申请人：INTELLIKINE, LLC

  公开号：US20150030588A1

  公开（公告）日：2015-01-29

  The present invention provides for a method for treating a disease condition associated with PI3-kinase a and/or a receptor tyrosine kinase (RTK) in a subject. In another aspect, the invention provides for a method for treating a disease condition associated with PI3-kinase α and/or an RTK in a subject. In yet another aspect, a method of inhibiting phosphorylation of Akt (S473) in a cell is set forth.

  本发明提供了一种治疗与PI3-激酶a和/或受体酪氨酸激酶（RTK）有关的疾病状况的方法。另一方面，该发明提供了一种治疗与PI3-激酶α和/或受体酪氨酸激酶（RTK）有关的疾病状况的方法。另一方面，提出了一种抑制细胞中Akt（S473）磷酸化的方法。
• [EN] AMINE-SUBSTITUTED ARYL OR HETEROARYL COMPOUNDS AS EHMT1 AND EHMT2 INHIBITORS<br/>[FR] COMPOSÉS ARYLE OU HÉTÉROARYLE À SUBSTITUTION AMINE UTILISÉS COMME INHIBITEURS DE EHMT1 ET EHMT2
  申请人：EPIZYME INC

  公开号：WO2017181177A1

  公开（公告）日：2017-10-19

  The present disclosure relates to amine-substituted aryl or heteroaryl compounds. The present disclosure also relates to pharmaceutical compositions containing these compounds and methods of treating a disorder (e.g., sickle cell anemia) via inhibition of a methyltransferase enzyme selected from EHMT1 and EHMT2, by administering an amine-substituted aryl or heteroaryl compound disclosed herein or a pharmaceutical composition thereof to subjects in need thereof. The present disclosure also relates to the use of such compounds for research or other non-therapeutic purposes.

  本公开涉及氨基取代的芳基或杂芳基化合物。本公开还涉及包含这些化合物的药物组合物，以及通过向需要治疗的受试者施用本公开的氨基取代的芳基或杂芳基化合物或其药物组合物，来治疗疾病（例如，镰状细胞性贫血）的方法，该方法通过抑制从EHMT1和EHMT2选择的甲基转移酶酶。本公开还涉及将此类化合物用于研究或其他非治疗目的。
• HETEROCYCLIC COMPOUNDS AND USES THEREOF
  申请人：Intellikine LLC

  公开号：US20150320727A1

  公开（公告）日：2015-11-12

  Heterocyclic entities that modulate PI3 kinase activity, pharmaceutical compositions containing the heterocyclic entities, and methods of using these chemical entities for treating diseases and conditions associated with PI3 kinase activity are described herein.

  本文描述了调节PI3激酶活性的杂环实体、含有这些杂环实体的药物组合物，以及利用这些化学实体治疗与PI3激酶活性相关的疾病和症状的方法。
• [EN] BIARYLTRIAZOLE INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR<br/>[FR] INHIBITEURS DE TRIAZOLE BIARYLE DU FACTEUR INHIBITEUR DE LA MIGRATION DES MACROPHAGES
  申请人：UNIV YALE

  公开号：WO2016130968A1

  公开（公告）日：2016-08-18

  The present disclosure describes biaryl triazole compounds, as well as their compositions and methods of use. The compounds inhibit the activity of macrophage migration inhibitory factor and are useful for the treatment of diseases, e.g., inflammatory diseases and cancer.

  本公开描述了联苯三唑化合物，以及它们的组合物和使用方法。这些化合物抑制巨噬细胞迁移抑制因子的活性，并且对于治疗疾病，例如炎症性疾病和癌症，具有用处。
• SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS
  申请人：Bignan Gilles

  公开号：US20110294780A1

  公开（公告）日：2011-12-01

  The present invention relates to compounds of Formula (I), methods for preparing these compounds, compositions, intermediates and derivatives thereof and for treating a condition including but not limited to ankylosing spondylitis, artherosclerosis, arthritis (such as rheumatoid arthritis, infectious arthritis, childhood arthritis, psoriatic arthritis, reactive arthritis), bone-related diseases (including those related to bone formation), breast cancer (including those unresponsive to anti-estrogen therapy), cardiovascular disorders, cartilage-related disease (such as cartilage injury/loss, cartilage degeneration, and those related to cartilage formation), chondrodysplasia, chondrosarcoma, chronic back injury, chronic bronchitis, chronic inflammatory airway disease, chronic obstructive pulmonary disease, diabetes, disorders of energy homeostasis, gout, pseudogout, lipid disorders, metabolic syndrome, multiple myeloma, obesity, osteoarthritis, osteogenesis imperfecta, osteolytic bone metastasis, osteomalacia, osteoporosis, Paget's disease, periodontal disease, polymyalgia rheumatica, Reiter's syndrome, repetitive stress injury, hyperglycemia, elevated blood glucose level, and insulin resistance.

  本发明涉及式(I)的化合物，制备这些化合物的方法，组合物，中间体及其衍生物，并用于治疗包括但不限于强直性脊柱炎，动脉粥样硬化，关节炎（如类风湿关节炎，感染性关节炎，儿童关节炎，银屑病性关节炎，反应性关节炎），与骨相关的疾病（包括与骨形成有关的疾病），乳腺癌（包括对抗雌激素治疗无效的癌症），心血管疾病，软骨相关疾病（如软骨损伤/丧失，软骨退化以及与软骨形成有关的疾病），软骨发育不良，软骨肉瘤，慢性腰部损伤，慢性支气管炎，慢性炎症性气道疾病，慢性阻塞性肺疾病，糖尿病，能量稳态紊乱，痛风，假性痛风，脂质紊乱，代谢综合征，多发性骨髓瘤，肥胖，骨关节炎，遗传性骨发育不全，骨溶解性骨转移，软骨软化症，骨质疏松症，帕金森病，牙周病，多肌痛风，Reiter综合征，重复性应激损伤，高血糖，血糖水平升高和胰岛素抵抗等病症的方法。