C-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-methylamine | 6560-67-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: C-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-methylamine
• 英文别名: N-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-methylamine；(α⁴,3-O-isopropylidene-3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)methylamine；(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)methanamine；2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl-methylamine；5-Aminomethyl-2,2,8-trimethyl-4H-m-dioxino<4,5-c>pyridin；α⁴,3-O-Isopropylidenisopyridoxamin
• CAS: 6560-67-4
• 化学式: C₁₁H₁₆N₂O₂
• 分子量: 208.26
• InChiKey: CHFYXHFOVCDIFC-UHFFFAOYSA-N

物化性质

• 沸点：
  318.4±42.0 °C(Predicted)
• 密度：
  1.118±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  57.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  C-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-methylamine 在 盐酸 、 manganese(IV) oxide 、 三乙胺 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 4.0h， 生成 3-[(4-formyl-5-hydroxy-6-methyl-pyridin-3-ylmethyl)-(2-methoxycarbonyl-ethyl)-amino]-propionic acid methyl ester
  参考文献：
  名称：

  Polymeric and dendrimeric pyridoxal enzyme mimics

  摘要：

  Pyridoxal was covalently attached to polyethylenimine polymers, but the resulting materials were found to degrade rapidly. In comparison, the dendrimeric pyridoxals, which possess only one pyridoxal unit at the core of every dendrimer molecule were found to be relatively stable compounds. A total of 12 poly(amidoamine) type dendrimers were synthesized. They range from G1 to G6 with either NMe2 or NHAc termini. The NMe2-terminated pyridoxal dendrimers racemize alpha-amino acids 50-100 times faster than does simple pyridoxal, while the NHAc-terminated pyridoxal dendrimers racemize alpha-amino acids only 3-5 times faster than does simple pyridoxal. Both the NMe2- and NHAc-terminated pyridoxal dendrimers decarboxylate 2-amino-2-phenyl-propionic acid 1-3 times faster than simple pyridoxal. The interior polarity in the pyridoxal dendrimers is similar to that of 85:15 water-DMFsolution. Furthermore we successfully incorporated eight lauryl groups to the G5 pyridoxal dendrimer at known positions. The laurylated dendrimer exhibits lower racemization and decarboxylation rates than do the unlaurylated ones, in contrast to the positive rate effects of laurylation in polyethylenimine-pyridoxamines in our previous transamination studies. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2004.03.062
• 作为产物：
  描述：

  α⁴,3-O-isopropylidene-α⁵-pyridoxyl chloride 在 氨 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 C-(2,2,8-trimethyl-4H-[1,3]dioxino[4,5-c]pyridin-5-yl)-methylamine
  参考文献：
  名称：

  Synthetic studies on pyridoxine derivatives. II. Synthesis of 3-(3-hydroxy-4-hydroxymethyl-2-methyl-5-pyridyl)methyl-4-methyl-5-substitutedthiazoline-2-thiones.

  摘要：

  本文介绍了一些在 5 位上具有噻唑啉环或噻唑鎓环的吡多辛衍生物的合成。3-(3-羟基-4-羟甲基-2-甲基-5-吡啶基)-甲基-5-甲基噻唑啉-2-硫酮（IX）是由α4，3-O-异亚丙基异吡哆胺（VII）、二硫化碳、氢氧化铵和氯丙酮合成的。同样，用适当的烷基氯代替氯丙酮也可以得到 X、XI 和 XII。用 30%的过氧化氢和 35%的盐酸处理 IX、X、XI 和 XII，可得到 3-（3-羟基-4-羟甲基-2-甲基-5-吡啶基）甲基-4-甲基-5-取代噻唑盐酸盐盐酸盐（XIII、XIV、XV、XVI）。

  DOI：

  10.1248/cpb.25.171

文献信息

• Dual antiplatelet/anticoagulant pyridoxine analogs
  申请人：Haque Wasimul

  公开号：US20060094761A1

  公开（公告）日：2006-05-04

  Compounds with antiplatelet aggregation and anticoagulant characteristics for the treatment of cardiovascular, cerebrovascular, and cardiovascular related diseases and symptoms, are described. The methods are directed to administering pharmaceutical compositions comprising aryl sulfonic pyridoxine and/or substituted pyridoxine analogs.

  描述了具有抗血小板聚集和抗凝血特性的化合物，用于治疗心血管、脑血管和与心血管相关的疾病和症状。该方法涉及给药含有芳基磺酸吡ridoxine和/或取代吡ridoxine类似物的药物组合物。
• Aryl sulfonic pyridoxines as antiplatelet agents
  申请人：Haque Wasimul

  公开号：US20060094748A1

  公开（公告）日：2006-05-04

  Aryl sulfonic pyridoxine compounds with antiplatelet aggregation characteristics for the treatment of cardiovascular and cardiovascular related disease, are described. The methods are directed to administering pharmaceutical compositions comprising aryl sulfonic pyridoxines.

  描述了具有抗血小板聚集特性的芳基磺酸吡哆醇化合物，用于治疗心血管和心血管相关疾病。该方法涉及给予含有芳基磺酸吡哆醇的药物组合物。
• Substituted pyridoxines as anti-platelet agents
  申请人：Haque Wasimul

  公开号：US20060094749A1

  公开（公告）日：2006-05-04

  Compounds with antiplatelet aggregation characteristics for the treatment of cardiovascular and cardiovascular related disease, are described. The methods are directed to administering pharmaceutical compositions comprising a pyridoxine analogue.

  描述了具有抗血小板聚集特性的化合物，用于治疗心血管和心血管相关疾病。这些方法涉及使用含有吡哆醇类似物的药物组合物。
• Aryl Sulfonic Pyridoxines as Antiplatelet Agents
  申请人：Haque Wasimul

  公开号：US20070142270A1

  公开（公告）日：2007-06-21

  Aryl sulfonic pyridoxine compounds with inhibition of serine protease activity and antiplatelet aggregation characteristics for the treatment of cardiovascular and cardiovascular related diseases are described. The methods are directed to administering pharmaceutical compositions comprising aryl sulfonic pyridoxines.

  本文描述了具有抑制丝氨酸蛋白酶活性和抗血小板聚集特性的芳基磺酸吡哆醇化合物，用于治疗心血管和心血管相关疾病。该方法旨在使用含有芳基磺酸吡哆醇的制药组合物进行治疗。
• Substituted Pyridoxines As Anti-Platelet Agents
  申请人：Haque Wasimul

  公开号：US20080306108A1

  公开（公告）日：2008-12-11

  Compounds with antiplatelet aggregation characteristics for the treatment of cardiovascular and cardiovascular related disease, are described. The methods are directed to administering pharmaceutical compositions comprising a pyridoxine analogue.

  本文描述了用于治疗心血管和心血管相关疾病的抗血小板聚集特性化合物。该方法涉及给予含有吡哆醇类似物的药物组合物。