N-Boc-N-(2-fluoroethyl)-2-hydroxyethylamine | 1192122-21-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: N-Boc-N-(2-fluoroethyl)-2-hydroxyethylamine
• 英文别名: tert-butyl N-(2-fluoroethyl)-N-(2-hydroxyethyl)carbamate
• CAS: 1192122-21-6
• 化学式: C₉H₁₈FNO₃
• 分子量: 207.245
• InChiKey: STNWHDCDSPFFDQ-UHFFFAOYSA-N

物化性质

• 沸点：
  280.7±25.0 °C(Predicted)
• 密度：
  1.085±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  14
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-Boc-N-(2-fluoroethyl)-2-hydroxyethylamine 在 2,2,6,6-四甲基哌啶氧化物 、 碘苯二乙酸 作用下， 生成
  参考文献：
  名称：

  Rigorous control of vesicle-forming lipid pKa by fluorine-conjugated bioisosteres for gene-silencing with siRNA

  摘要：

  While the influence of pK(a) provided by amine-containing materials in siRNA delivery vectors for use in genesilencing has been widely studied, there are little reports in which amine pK(a) is controlled rigorously by using bioisosteres and its effect on gene-silencing. Here, we report that amine pK(a) could be rigorously controlled by replacement of hydrogen atom(s) with fluorine atom(s). A series of mono- and di-amine lipids with a different number of fluorine atoms were synthesized. The pK(a) of the polyamine lipids was shifted to a lower value with an increase in the number of fluorine atoms. The optimal pK(a) for high gene-silencing efficiency varied according to the number of amine residues in the polyamine lipid. Whereas the endosomal escape ability of mono-amine lipid-containing lipid vesicles (LVs) depended on the pK(a), that of all tested di-amine lipid-containing LVs showed equal membrane-destabilizing activity. LVs showing moderately weak interactions with siRNA facilitated cytoplasmic release of siRNA, resulting in strong gene-silencing. These findings indicate that appropriate amine pK(a) engineering depending on the number of amines is important for the induction of effective RNA interference.

  DOI：

  10.1016/j.jconrel.2018.12.044
• 作为产物：
  描述：

  tert-butyl (2-(benzyloxy)ethyl)(2-fluoroethyl)carbamate 在 钯 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 27.0h， 以to afford crude INT 16 as a colorless oil的产率得到N-Boc-N-(2-fluoroethyl)-2-hydroxyethylamine
  参考文献：
  名称：

  NOVEL AMINO PYRIMIDINE DERIVATIVES

  摘要：

  本发明描述了新的氨基嘧啶衍生物及其药学上可接受的盐，这些衍生物似乎与布鲁顿氨基酸激酶（Btk）相互作用。因此，这些新型氨基嘧啶可能有效地治疗自身免疫性疾病、炎症性疾病、过敏性疾病、气道疾病（如哮喘和慢性阻塞性肺疾病（COPD））、移植排斥、血液系统肿瘤或实体肿瘤等癌症。

  公开号：

  US20150152068A1

文献信息

• NOVEL AMINO PYRIMIDINE DERIVATIVES
  申请人：ANGST Daniela

  公开号：US20150152068A1

  公开（公告）日：2015-06-04

  The present invention describes new amino pyrimidine derivatives and pharmaceutically acceptable salts thereof which appear to interact with Bruton's tyrosine kinase (Btk). Accordingly, the novel amino pyrimidines may be effective in the treatment of autoimmune disorders, inflammatory diseases, allergic diseases, airway diseases, such as asthma and chronic obstructive pulmonary disease (COPD), transplant rejection, cancers e.g. of hematopoietic origin or solid tumors.

  本发明描述了新的氨基嘧啶衍生物及其药用盐，这些衍生物似乎与布鲁顿酪氨酸激酶（Btk）相互作用。因此，这些新型氨基嘧啶可能在治疗自身免疫性疾病、炎症性疾病、过敏性疾病、气道疾病（如哮喘和慢性阻塞性肺病（COPD））、移植排斥、血液起源或实体肿瘤等癌症方面具有有效性。
• [EN] NOVEL AMINO PYRIMIDINE DERIVATIVES<br/>[FR] NOUVEAUX DÉRIVÉS D'AMINOPYRIMIDINE
  申请人：NOVARTIS AG

  公开号：WO2015079417A1

  公开（公告）日：2015-06-04

  The present invention describes new amino pyrimidine derivatives of formula (I) and pharmaceutically acceptable salts thereof which appear to interact with Bruton's tyrosine kinase (Btk). Accordingly, the novel amino pyrimidines may be effective in the treatment of autoimmune disorders, inflammatory diseases, allergic diseases, airway diseases, such as asthma and chronic obstructive pulmonary disease (COPD), transplant rejection, cancers e.g. of hematopoietic origin or solid tumors.

  本发明描述了新的氨基嘧啶衍生物的化学式(I)及其药用盐，这些衍生物似乎与布鲁顿酪氨酸激酶（Btk）相互作用。因此，这些新型氨基嘧啶可能在治疗自身免疫性疾病、炎症性疾病、过敏性疾病、气道疾病（如哮喘和慢性阻塞性肺病（COPD））、移植排斥、血液起源或实体肿瘤等癌症方面具有有效性。
• [EN] SORDARIN DERIVATIVES FOR PREVENTING OR TREATING INFECTIOUS DISEASES CAUSED BY PATHOGENIC MICROORGANISMS<br/>[FR] DÉRIVÉS DE SORDARINE POUR PRÉVENIR OU TRAITER DES MALADIES INFECTIEUSES CAUSÉES PAR DES MICRO-ORGANISMES PATHOGÈNES
  申请人：ASTELLAS PHARMA INC

  公开号：WO2009131246A1

  公开（公告）日：2009-10-29

  This invention relates to a new sordarin derivative or a pharmaceutically acceptable salt thereof, which has antimicrobial activities (especially, antifungal activities), to process for preparation thereof, to a pharmaceutical composition comprising the same, and to a method for prophylactic and/or therapeutic treatment of infectious diseases in a human being or an animal.

  这项发明涉及一种新的索达林衍生物或其药用可接受的盐，该衍生物具有抗菌活性（特别是抗真菌活性），其制备方法，包含该衍生物的药物组合物，以及用于预防或治疗人类或动物传染性疾病的方法。
• [EN] LABELED AMINO PYRIMIDINE DERIVATIVES<br/>[FR] DÉRIVÉS D'AMINOPYRIMIDINE MARQUÉS
  申请人：NOVARTIS AG

  公开号：WO2016079669A1

  公开（公告）日：2016-05-26

  The present invention describes novel radioactive amino pyrimidine derivatives, their preparation and their use as radiotracers / radiomarkers for imaging techniques and as diagnostic tools in the field of BTK receptor susceptible diseases and/or disorders. The compounds of the present invention generally exhibit a potent and selective inhibition of Bruton's tyrosine kinase (BTK).

  本发明描述了新型放射性氨基嘧啶衍生物，它们的制备以及它们作为影像技术中的放射示踪剂/标记物以及在BTK受体易感性疾病和/或疾病领域中作为诊断工具的用途。本发明的化合物通常表现出对布氏酪氨酸激酶（BTK）的强效和选择性抑制。
• Novel Amino Pyrimidine Derivatives
  申请人：Angst Daniela

  公开号：US20160235746A1

  公开（公告）日：2016-08-18

  The present invention describes new amino pyrimidine derivatives and pharmaceutically acceptable salts thereof which appear to interact with Bruton's tyrosine kinase (Btk). Accordingly, the novel amino pyrimidines may be effective in the treatment of autoimmune disorders, inflammatory diseases, allergic diseases, airway diseases, such as asthma and chronic obstructive pulmonary disease (COPD), transplant rejection, cancers e.g. of hematopoietic origin or solid tumors.

  本发明描述了新的氨基嘧啶衍生物及其药学上可接受的盐，它们似乎与布鲁顿酪氨酸激酶（Btk）相互作用。因此，这种新型氨基嘧啶可能在治疗自身免疫性疾病、炎症性疾病、过敏性疾病、气道疾病（如哮喘和慢性阻塞性肺疾病（COPD））、移植排斥和血液系统肿瘤或实体瘤等癌症方面具有疗效。