chloromethyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate | 142011-57-2

• 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: chloromethyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate
• 英文别名: Chloromethyl 4-({[(tert-butoxy)carbonyl]amino}methyl)benzoate；chloromethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
• CAS: 142011-57-2
• 化学式: C₁₄H₁₈ClNO₄
• 分子量: 299.754
• InChiKey: HGQODBOQUFLQOA-UHFFFAOYSA-N

物化性质

• 沸点：
  447.2±40.0 °C(Predicted)
• 密度：
  1.199±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  64.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  chloromethyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate 在 盐酸 、 sodium hydride 作用下， 以 乙醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.0h， 生成 methyl 1-[(4-aminomethyl)benzoyloxy]-5-(propylthio)-2-benzimidazole-carbamate
  参考文献：
  名称：

  Synthesis and hydrolytic stability studies of albendazole carrier prodrugs

  摘要：

  Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00214-1
• 作为产物：
  描述：

  4-氨甲基苯甲酸 在 四丁基硫酸氢铵 、 碳酸氢钠 作用下， 以 二氯甲烷 、 叔丁醇 为溶剂， 生成 chloromethyl 4-(((tert-butoxycarbonyl)amino)methyl)benzoate
  参考文献：
  名称：

  Synthesis and hydrolytic stability studies of albendazole carrier prodrugs

  摘要：

  Three N-acyl (2, 3, and 4), two N-alkoxycarbonyl (5 and 6), and one N-acyloxymethyl (7) derivatives of albendazole (1) have been prepared and assessed as potential prodrugs. The determination of the aqueous solubility and partition coefficient, as well as the conversion of these derivatives to 1 in buffer solution, human plasma, and pig liver esterase were determined. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00214-1

文献信息

• 2-arylbenzimidazoles as PPARGC1A activators for treating neurodegenerative diseases
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US10851066B2

  公开（公告）日：2020-12-01

  The compound 2-(3-tert-Butylphenyl)-4,6-difluoro-1H-benzo[d]imidazole and its use are disclosed: The compound activates Ppargc1a and, as a consequence, is useful for treating neuroinflammation and for treating a variety of neurodegenerative diseases.

  公开了化合物 2-(3-叔丁基苯基)-4,6-二氟-1H-苯并[d]咪唑及其用途： 该化合物可激活 Ppargc1a，因此可用于治疗神经炎症和各种神经退行性疾病。
• 2-arylbenzimidazoles as Ppargc1a activators for treating neurodegenerative diseases
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US11111217B2

  公开（公告）日：2021-09-07

  The compound 2-(4-tert-Butylphenyl)-1H-benzo[d]imidazol-5-ol: and its use are disclosed. The compound activates Ppargc1a and, as a consequence, is useful for treating neuroinflammation and for treating a variety of neurodegenerative diseases.

  化合物 2-(4-叔丁基苯基)-1H-苯并[d]咪唑-5-醇： 及其用途。该化合物能激活 Ppargc1a，因此可用于治疗神经炎症和各种神经退行性疾病。
• WO2020033359A5
  申请人：——

  公开号：WO2020033359A5

  公开（公告）日：2022-08-12
• 2-ARYLBENZIMIDAZOLES AS PPARGC1A ACTIVATORS FOR TREATING NEURODEGENERATIVE DISEASES
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：EP3833344A1

  公开（公告）日：2021-06-16
• PI-3 KINASE INHIBITOR PRODRUGS
  申请人：Garlich Joseph R.

  公开号：US20080188423A1

  公开（公告）日：2008-08-07

  The invention provides novel prodrugs of inhibitors of PI-3 kinase. The novel compounds are LY294002 and analogs thereof comprising a reversibly quaternized amine.