tert[2-(diethylamino)ethyl]ammonium trifluoroacetate | 1621174-94-4

• 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: tert[2-(diethylamino)ethyl]ammonium trifluoroacetate
• CAS: 1621174-94-4
• 化学式: C₂HF₃O₂*C₆H₁₆N₂
• 分子量: 230.23
• InChiKey: DAAYIHPHEUVPGP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.92
• 重原子数：
  15.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  66.56
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  tert[2-(diethylamino)ethyl]ammonium trifluoroacetate 在 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 30.75h， 生成 diethyl-[2-[[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carbonyl]amino]ethyl]-methylazanium;chloride
  参考文献：
  名称：

  Cationic lipid-conjugated dexamethasone as a selective antitumor agent

  摘要：

  Dexamethasone (Dex) is one of the highly potent synthetic glucocorticoids. It exhibits prominent anti-inflammatory but moderate anti-proliferative activities. It is widely used along side chemotherapy to alleviate toxic side effects. Additionally, Dex is also a potent inducer of gluconeogenesis. However, its overuse critically desensitizes cells against chemotherapy. Herein, we report on the development of a new class of cationic lipid-Dex conjugates in which the C-8 carbon chain analogue (DX8) exhibited glucocorticoid receptor (GR)-mediated, caspase-3-assisted, cancer cell-selective anti-proliferative activity. Melanoma tumors in DX8-treated mice exhibited significantly reduced tumor aggressiveness with respect to tumors in Dex-treated mice. Tumor lysates prepared from DX8-treated group showed elevated levels of p53. DX8-treated cancer cells showed clear degradation of kinase JAK3/STAT3 protein levels. Additionally, DX8-treatment decreased the level of VEGFR2 in tumor-endothelial cells implying DX8's anti-proliferative roles in both tumor cells and tumor neovascular cells. Collectively, our results demonstrate potent anti-angiogenic, and selective JAK3/STAT3 down-regulating anticancer characteristics of DX8, a new dexamethasone-based antitumor molecule.

  DOI：

  10.1016/j.ejmech.2014.06.051
• 作为产物：
  描述：

  2-甲基-2-丙基[2-(二乙基氨基)乙基]氨基甲酸酯 、 三氟乙酸 以 二氯甲烷 为溶剂， 反应 4.25h， 以93.9%的产率得到tert[2-(diethylamino)ethyl]ammonium trifluoroacetate
  参考文献：
  名称：

  Cationic lipid-conjugated dexamethasone as a selective antitumor agent

  摘要：

  Dexamethasone (Dex) is one of the highly potent synthetic glucocorticoids. It exhibits prominent anti-inflammatory but moderate anti-proliferative activities. It is widely used along side chemotherapy to alleviate toxic side effects. Additionally, Dex is also a potent inducer of gluconeogenesis. However, its overuse critically desensitizes cells against chemotherapy. Herein, we report on the development of a new class of cationic lipid-Dex conjugates in which the C-8 carbon chain analogue (DX8) exhibited glucocorticoid receptor (GR)-mediated, caspase-3-assisted, cancer cell-selective anti-proliferative activity. Melanoma tumors in DX8-treated mice exhibited significantly reduced tumor aggressiveness with respect to tumors in Dex-treated mice. Tumor lysates prepared from DX8-treated group showed elevated levels of p53. DX8-treated cancer cells showed clear degradation of kinase JAK3/STAT3 protein levels. Additionally, DX8-treatment decreased the level of VEGFR2 in tumor-endothelial cells implying DX8's anti-proliferative roles in both tumor cells and tumor neovascular cells. Collectively, our results demonstrate potent anti-angiogenic, and selective JAK3/STAT3 down-regulating anticancer characteristics of DX8, a new dexamethasone-based antitumor molecule.

  DOI：

  10.1016/j.ejmech.2014.06.051

文献信息

• FUSED HETEROCYCLIC COMPOUNDS AS CAM KINASE INHIBITORS
  申请人：Gilead Sciences, Inc.

  公开号：US20180148457A1

  公开（公告）日：2018-05-31

  The present disclosure relates to compounds that are CaM Kinase inhibitors and to their use in the treatment of various disease states, including atrial fibrillation and myocardial infarction. In particular embodiments, the general structure of the compounds is given by Formula I: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 9 and R 10 are as described herein, to methods for the preparation and use of the compounds and to pharmaceutical compositions containing the same.

  本公开涉及的化合物是CaM激酶抑制剂，用于治疗各种疾病状态，包括心房颤动和心肌梗死。在特定实施例中，化合物的一般结构由公式I给出：其中R1、R2、R3、R4、R5、R6、R9和R10如本文所述，涉及化合物的制备和使用方法以及含有相同化合物的药物组合物。