2,4-bis-aminomethyl-1,3,5-trimethyl-benzene | 3539-06-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,4-bis-aminomethyl-1,3,5-trimethyl-benzene
• 英文别名: 2,4-Bis-aminomethyl-1,3,5-trimethyl-benzol；(2,4,6-Trimethyl-1,3-phenylene)dimethanamine；[3-(aminomethyl)-2,4,6-trimethylphenyl]methanamine
• CAS: 3539-06-8
• 化学式: C₁₁H₁₈N₂
• 分子量: 178.277
• InChiKey: BDNFORFQJHFKJV-UHFFFAOYSA-N

物化性质

• 沸点：
  152-153 °C(Press: 7 Torr)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  52
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,4-bis-aminomethyl-1,3,5-trimethyl-benzene 、 异硫氰酸甲酯 以 二氯甲烷 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  苯基三脚架异硫脲化合物作为硫酸根离子受体

  摘要：

  合成了基于苯的新型三脚架异硫脲鎓受体，用于选择性识别四面体含氧阴离子。通过等温滴定热法进行的结合研究表明，阳离子受体优选以三脚架模式结合硫酸根离子，而它们显示出对磷酸根离子的混合结合模式。三脚架异硫脲鎓受体对甲醇中的硫酸根离子表现出较大的ΔG 0值，这是由熵驱动的。结果表明，微妙的结构约束可能导致结构相似的阴离子具有不同的键合模式。

  DOI：

  10.1016/j.tetlet.2003.11.048
• 作为产物：
  描述：

  2,4-二(溴甲基)-1,3,5-三甲基苯 在 lithium aluminium tetrahydride 、 sodium azide 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 15.0h， 生成 2,4-bis-aminomethyl-1,3,5-trimethyl-benzene
  参考文献：
  名称：

  苯基三脚架异硫脲化合物作为硫酸根离子受体

  摘要：

  合成了基于苯的新型三脚架异硫脲鎓受体，用于选择性识别四面体含氧阴离子。通过等温滴定热法进行的结合研究表明，阳离子受体优选以三脚架模式结合硫酸根离子，而它们显示出对磷酸根离子的混合结合模式。三脚架异硫脲鎓受体对甲醇中的硫酸根离子表现出较大的ΔG 0值，这是由熵驱动的。结果表明，微妙的结构约束可能导致结构相似的阴离子具有不同的键合模式。

  DOI：

  10.1016/j.tetlet.2003.11.048

文献信息

• AROMATIC AND HETEROAROMATIC COMPOUNDS USEFUL IN TREATING IRON DISORDERS
  申请人：Cadieux Jean-Jacques

  公开号：US20100240713A1

  公开（公告）日：2010-09-23

  This invention is directed to compounds of formula (I), wherein m, formula (II), R 1 , R 2 and R 3 are as defined herein, as a stereoisomer, enantiomer, tautomer thereof or mixtures thereof; or a pharmaceutically acceptable salt, solvate or prodrug thereof, for the treatment of iron disorders. This invention is also directed to pharmaceutical compositions comprising the compounds and methods of using the compounds to treat iron disorders.

  本发明涉及式（I）的化合物，其中m、式（II）、R1、R2和R3如本文所定义，作为立体异构体、对映异构体、互变异构体或其混合物；或其药学上可接受的盐、溶剂或前药，用于治疗铁代谢紊乱。本发明还涉及包含该化合物的制药组合物以及使用该化合物治疗铁代谢紊乱的方法。
• Endothelin Antagonists:  Substituted Mesitylcarboxamides with High Potency and Selectivity for ET_A Receptors
  作者：Chengde Wu、E. Radford Decker、Natalie Blok、Huong Bui、Qi Chen、B. Raju、Andree R. Bourgoyne、Vippra Knowles、Ronald J. Biediger、Robert V. Market、Shuqun Lin、Brian Dupré、Timothy P. Kogan、George W. Holland、Tommy A. Brock、Richard A. F. Dixon

  DOI：10.1021/jm9900063

  日期：1999.11.1

  We have previously disclosed the discovery of 2,4-disubstituted anilinothiophenesulfonamides with potent ETA-selective endothelin receptor antagonism and the subsequent identification of sitaxsentan (TBC11251, 1) as a clinical development compound (Wu et al. J. Med. Chem. 1997, 40, 1682 and 1690). The orally active 1 has demonstrated efficacy in a phase II clinical trial of congestive heart failure (Givertz ct al. Circulation 1998, 98, Abstr. #3044) and was active in rat models of myocardial infarction (Podesser et al. Circulation. 1998, 98, Abstr. #2896) and acute hypoxia-induced pulmonary hypertension (Chen et al. FASEB J. 1996, 10 (3), A104). We now report that an additional substituent at the 6-position of the anilino ring further increases the potency of this series of compounds. It was also found that a wide range of functionalities at the 3-position of the 2,4,6-trisubstituted ring increased ETA selectivity by similar to 10-fold while maintaining in vitro potency, therefore rendering the compounds amenable to fine-tuning of pharmacological and toxicological profiles with enhanced selectivity. The optimal compound in this series was found to be TBC2576 (7u), which has similar to 10-fold higher ETA binding affinity than 1, high ETA/ETB selectivity, and a serum half-life of 7.3 h in rats, as well as in vivo activity.
• US2640080
  申请人：——

  公开号：——

  公开（公告）日：——
• MONITORING INFLAMMATION STATUS
  申请人：Mologic Limited

  公开号：EP3111226B1

  公开（公告）日：2019-05-01
• Monitoring Inflammation Status
  申请人：Mologic Limited

  公开号：US20170108511A1

  公开（公告）日：2017-04-20

  Methods for monitoring inflammation status of a subject comprise determining levels of at least one neutrophil activation marker, or at least three markers, in urine samples taken from the subject at multiple time points, wherein increased levels of the at least one neutrophil activation marker, or at least one of the markers, in a urine sample are indicative of or predictive of an exacerbation of inflammation and/or wherein decreased levels of the at least one neutrophil activation marker, or at least one of the markers, in a urine sample following an increase are indicative or predictive of recovery from, or successful treatment of, an exacerbation of inflammation. Corresponding systems, test kits and computer programs are provided.