1-(4-叔丁基苯基)乙烷胺盐酸盐 | 91552-71-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-(4-叔丁基苯基)乙烷胺盐酸盐
• 英文名称: 1-(4-(tert-butyl)phenyl)ethan-1-aminium chloride
• 英文别名: 1-(4-Tert-butylphenyl)ethylazanium;chloride；1-(4-tert-butylphenyl)ethylazanium;chloride
• CAS: 91552-71-5
• 化学式: C₁₂H₁₉N*ClH
• 分子量: 213.75
• InChiKey: WQCMEXXHUOHNLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  26
• 氢给体数：
  2
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(4-(tert-butyl)phenyl)ethan-1-iminium chloride 在 2,6-bis(3,5-bis(3,7-bis(trifluoromethyl)naphthalen-1-yl)phenyl)-4H-dinaphtho[2,1-d:1',2'-f][1,3,2]dithiazepine 3,3,5,5-tetraoxide 、 2,6-二甲基-1,4-二氢吡啶-3,5-二甲酸二叔丁酯 作用下， 以 甲基叔丁基醚 、 甲基环己烷 为溶剂， 反应 24.0h， 生成 1-(4-叔丁基苯基)乙烷胺盐酸盐
  参考文献：
  名称：

  手性布朗斯台德酸催化已质子化底物的不对称加成：高对映选择性二磺酰亚胺催化的 NH-亚胺盐酸盐的 Hantzsch 酯还原

  摘要：

  虽然亚胺是不对称布朗斯台德酸催化中经常使用的底物，但它们相应的盐通常被认为是不合适的反应伙伴。这些过程具有挑战性，因为它们需要催化量的手性阴离子与化学计量量的非手性阴离子成功竞争。我们现在表明，使用 Hantzsch 酯作为氢源，对映体纯二磺酰亚胺能够不对称还原 N-H 亚胺盐酸盐。我们的可扩展反应以高效率和对映选择性提供结晶伯胺盐，这一发现表明这种方法在其他布朗斯台德酸催化的非手性亚胺盐转化中具有潜力。动力学研究和酸度数据表明双功能催化活化模式。

  DOI：

  10.1055/s-0040-1706413

文献信息

• [EN] N-BENZYLBENZIMIDAZOLE MODULATORS OF PPARG<br/>[FR] MODULATEURS N-BENZYLBENZIMIDAZOLES DE PPARG
  申请人：RIPKA AMY S

  公开号：WO2013078233A1

  公开（公告）日：2013-05-30

  The invention provides molecular entities that bind with high affinity to PPARG (PPARϒ), inhibit cdk5-mediated phosphorylation of PPARG, but do not exert an agonistic effect on PPARG. Compounds of the invention can be used for treatment of conditions in patients wherein PPARG plays a role, such as diabetes or obesity. Methods of preparation of the compounds, bioassay methods for evaluating compounds of the invention as non-agonistic PPARG binding compounds, and pharmaceutical compositions are also provided.

  本发明提供了与PPARG（PPARϒ）高亲和力结合的分子实体，抑制cdk5介导的PPARG磷酸化，但不对PPARG产生激动作用。本发明的化合物可用于治疗PPARG在糖尿病或肥胖等病患中起作用的情况。本发明还提供了制备该化合物的方法、用于评估该化合物作为非激动性PPARG结合化合物的生物测定方法，以及制药组合物。
• [EN] N-BIPHENYLMETHYLBENZIMIDAZOLE MODULATORS OF PPARG<br/>[FR] MODULATEURS N-BIPHÉNYLMÉTHYLBENZIMIDAZOLES DE PPARG
  申请人：RIPKA AMY S

  公开号：WO2013078240A1

  公开（公告）日：2013-05-30

  The invention provides molecular entities that bind with high affinity to PPARG (PPAR?), inhibit cdk5-mediated phosphorylation of PPARG, but do not exert an agonistic effect on PPARG. Compounds of the invention can be used for treatment of conditions in patients wherein PPARG plays a role, such as diabetes or obesity. Methods of preparation of the compounds, bioassay methods for evaluating compounds of the invention as non-agonistic PPARG binding compounds, and pharmaceutical compositions are also provided.

  该发明提供了与PPARG（PPARγ）高亲和力结合的分子实体，抑制cdk5介导的PPARG磷酸化，但不对PPARG产生激动作用。该发明的化合物可用于治疗PPARG在糖尿病或肥胖等病患中发挥作用的情况。还提供了该化合物的制备方法、用于评估该发明的化合物作为非激动性PPARG结合化合物的生物测定方法，以及制药组合物。
• [EN] N-BIPHENYLMETHYLINDOLE MODULATORS OF PPARG<br/>[FR] MODULATEURS N-BIPHÉNYLMÉTHYLINDOLE DE PPARG
  申请人：KAMENECKA THEODORE MARK

  公开号：WO2012170554A1

  公开（公告）日：2012-12-13

  The invention provides molecular entities that bind with high affinity to PPARG (PPARƴ), inhibit kinase-mediated, e.g., cdk5-mediated, phosphorylation of PPARG, but do not exert an agonistic effect on PPARG. Compounds of the invention can be used for treatment of conditions in patients wherein PPARG plays a role, such as diabetes, insulin resistance, impaired glucose tolerance, prediabetes, hyperglycemia, hyperinsulinemia, obesity, or inflammation. In methods of treatment of these conditions using a compound of the invention, the compound can avoid producing side effects of significant weight gain, edema, impairment of bone growth or formation, or cardiac hypertrophy, or any combination thereof, in the patient receiving the compound. Methods of preparation of the compounds, bioassay methods for evaluating compounds of the invention as non-agonistic PPARG binding compounds, and pharmaceutical compositions are also provided.
• [EN] N-BENZYLINDOLE MODULATORS OF PPARG<br/>[FR] MODULATEURS N-BENZYLINDOLE DU PPARG
  申请人：SCRIPPS RESEARCH INST

  公开号：WO2012170561A1

  公开（公告）日：2012-12-13

  The invention provides molecular entities that bind with high affinity to PPARG (PPARγ), and inhibit kinase-mediated (e.g., cdk5-mediated) phosphorylation of PPARG, but do not exert an agonistic effect on PPARG. Compounds of the invention can be used for treatment of conditions in patients wherein PPARG plays a role, such as diabetes, insulin resistance, impaired glucose tolerance, pre-diabetes, hyperglycemia, hyperinsulinemia, obesity, or inflammation. Side effects of significant weight gain, edema, impairment of bone growth or formation, or cardiac hypertrophy, or any combination thereof, can be avoided in the mammal receiving the compound. Methods of preparation of the compounds, bioassay methods for evaluating compounds of the invention as non-agonistic PPARG binding compounds, and pharmaceutical compositions are also provided.