1-tert.-Butylamino-3-methoxy-propanol-(2) | 22741-54-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1-tert.-Butylamino-3-methoxy-propanol-(2)
• 英文别名: 1-(Tert-butylamino)-3-methoxypropan-2-ol
• CAS: 22741-54-4
• 化学式: C₈H₁₉NO₂
• 分子量: 161.244
• InChiKey: PKYMVBGPXSOMRC-UHFFFAOYSA-N

物化性质

• 沸点：
  234.5±25.0 °C(Predicted)
• 密度：
  0.928±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  41.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  (甲氧基甲基)环氧乙烷 、 叔丁胺 以 various solvent(s) 为溶剂， 反应 20.0h， 生成 1-tert.-Butylamino-3-methoxy-propanol-(2)
  参考文献：
  名称：

  新型脂肪族肟醚的合成及β-肾上腺素的阻断活性。

  摘要：

  合成了新的β-肾上腺素能阻滞剂，其中大多数不含芳香核。它们衍生自烷基氨基-脂族肟醚或烷基氨基-脂族醚。其中最活跃的是O- [3-（叔丁基氨基）-2-羟丙基]乙酰肟（8;气管pA2 = 7.65）和1-异丁氧基-3-（叔丁基氨基）-2-丙醇（15;气管pA2 = 7.49），两者都显示出支气管选择性（β2 /β1比约为15）。讨论了芳香核在这类化合物中的作用和重要性。

  DOI：

  10.1021/jm00180a007

文献信息

• A new route to amino-2-propanol structures with adrenergic β-blocker activity using low valent titanium
  作者：J.L. Bermudez、C. del Campo、J.V. Sinisterra、E.F. Llama

  DOI：10.1016/s0040-4039(97)00804-6

  日期：1997.6

  Amino-2-propanol structures can be obtained by addition to dibenzyl acetals of in situ generated dihalocarbenes using LVT (Low Valent Titanium). This methodology can be used to obtain adrenergic β-blockers with amino-2-propanol structure. Tetrahalomethanes are the best dihalocarbene precursors. The yields obtained using halofluoromethanes can be increased by addition of carbontetrachloride. A process

  氨基-2-丙醇结构可通过使用LVT（低价钛）加入原位生成的二卤卡宾的二苄基乙缩醛中获得。该方法可用于获得具有氨基-2-丙醇结构的肾上腺素β-受体阻滞剂。四卤甲烷是最好的二卤卡宾前体。通过添加四氯化碳可以提高使用卤代氟甲烷获得的收率。可以提出可以暗示卤素转移的方法。
• KINASE INHIBITORS
  申请人：MALTAIS FRANCOIS

  公开号：US20090124602A1

  公开（公告）日：2009-05-14

  The present invention relates to compounds useful as inhibitors of protein kinase. The invention also provides pharmaceutically acceptable compositions comprising said compounds and methods of using the compositions in the treatment of various disease, conditions, or disorders. The invention also provides processes for preparing compounds of the inventions.

  本发明涉及用作蛋白激酶抑制剂的化合物。该发明还提供了含有所述化合物的药学上可接受的组合物以及使用这些组合物治疗各种疾病、状况或障碍的方法。该发明还提供了制备本发明化合物的方法。
• Gaertner,V.R., Journal of Heterocyclic Chemistry, 1969, vol. 6, p. 273 - 277
  作者：Gaertner,V.R.

  DOI：——

  日期：——
• LECLERC G.; BIETH N.; SCHWARTZ J., J. MED. CHEM., 1980, 23, NO 6, 620-624
  作者：LECLERC G.、 BIETH N.、 SCHWARTZ J.

  DOI：——

  日期：——
• INHIBITORS OF INV(16) LEUKEMIA
  申请人：Bushweller John H.

  公开号：US20140243331A1

  公开（公告）日：2014-08-28

  This invention describes the development of targeted small molecule inhibitors of the inv(16) fusion, the causative agent in ˜12% of acute myeloid leukemia (AML). The inv(16) fusion results in expression of the CBFβ-SMMHC fusion protein in the blood cells of afflicted patients. The present invention provides compounds which inhibit the function of both CBFβ and the CBFβ-SMMHC fusion. These compounds block the growth of an inv(16) leukemia cell line as well as increase its apoptosis, while showing minimal effects against non inv(16) cell lines. As a mechanism to develop inhibitors with selectivity for the CBFβ-SMMHC fusion protein, the present invention further provides dimeric derivatives of these compounds which show both increased potency as well as selectivity for CBFβ-SMMHC. These compounds show potent inhibition of an inv(16) leukemia cell line with minimal effects on non inv(16) cell lines. Analysis of the pharmacokinetics of the developed compounds has made it possible to improve the lifetime of the compound in the plasma of mice to a level commensurate with long-term treatment.