tert-butyl 2,5-diaminobenzoate | 889858-33-7

• 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: tert-butyl 2,5-diaminobenzoate
• CAS: 889858-33-7
• 化学式: C₁₁H₁₆N₂O₂
• 分子量: 208.26
• InChiKey: ANIREVWMFYABFK-UHFFFAOYSA-N

物化性质

• 沸点：
  353.3±22.0 °C(Predicted)
• 密度：
  1.147±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  78.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (2R)-2-({[6-(5-chloro-2-methoxybenzyl)-3,7-dioxo-1,4-diazepan-1-yl]carbonyl}amino)butanoic acid 、 tert-butyl 2,5-diaminobenzoate 在 1-丙基磷酸酐 、 三乙胺 作用下， 以 二氯甲烷 、 乙酸乙酯 为溶剂， 反应 3.0h， 生成
  参考文献：
  名称：

  Discovery of novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones as human chymase inhibitors using structure-based drug design

  摘要：

  A novel series of 6-benzyl substituted 4-aminocarbonyl-1,4-diazepane-2,5-diones were explored as human chymase inhibitors using structure-based drug design according to the X-ray cocrystal structure of chymase and compound 1. The optimization focused on the prime site led to the attainment of compounds that showed potent inhibitory activity, and among them, 18R shows a novel interaction mode. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.04.079

文献信息

• Novel aryl fructose-1,6-Bisphosphatase inhibitors
  申请人：Metabasis Therapeutics, Inc.

  公开号：US20020040014A1

  公开（公告）日：2002-04-04

  Novel FBPase inhibitors of the formula I 1 are useful in the treatment of diabetes and other conditions associated with elevated blood glucose.

  新型的FBPase抑制剂I1式样对于治疗糖尿病和其他与血糖升高相关的疾病非常有用。
• 1, 2, 4-tribsubstituted benzenes as inhibitors of 15-lipoxygenase
  申请人：——

  公开号：US20040053983A1

  公开（公告）日：2004-03-18

  The present invention provides compounds of formula (I) wherein R, Z, Y, W, R 5 , V, and X are as defined in the description, and pharmaceutically acceptable salts thereof, which are useful for the treatment of diseases responsive to the inhibition of the enzyme 15-lipoxygenase. Thus, the compounds of formula (I) and their pharmaceutically acceptable salts are useful for treating diseases with an inflammatory component, including atherosclerosis, diseases involving chemotaxis of monocytes, inflammation, stroke, coronary artery disease, asthma, arthritis, colorectal cancer, and psoriasis.

  本发明提供了式（I）的化合物，其中R、Z、Y、W、R5、V和X如描述中所定义，并且其药学上可接受的盐，用于治疗对15-脂氧合酶抑制敏感的疾病。因此，式（I）的化合物及其药学上可接受的盐可用于治疗具有炎症成分的疾病，包括动脉粥样硬化、涉及单核细胞趋化、炎症、中风、冠状动脉疾病、哮喘、关节炎、结直肠癌和银屑病。
• Novel aryl fructose-1,6-bisphosphatase inhibitors
  申请人：Bookser C. Brett

  公开号：US20050176684A1

  公开（公告）日：2005-08-11

  Novel FBPase inhibitors of the formula I are useful in the treatment of diabetes and other conditions associated with elevated blood glucose.

  化学式为I的新型FBPase抑制剂在治疗糖尿病和其他与高血糖相关的疾病中非常有用。
• 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF
  申请人：Muto Tsuyoshi

  公开号：US20090253683A1

  公开（公告）日：2009-10-08

  A 7-membered heterocyclic compound having the formula (I), or its salt, or a solvate thereof with a chymase inhibitory action and useful for the prevention or treatment of various diseases, in which chymase is involved: a method for producing the same, and a pharmaceutical composition useful for the prevention or treatment of diseases, in which chymase is involved, including the compound of having the formula (I), or its pharmaceutically acceptable salt, or a solvate thereof are provided.

  本发明提供一种具有式(I)的7元杂环化合物或其盐或其溶剂合物，具有抑制chymase的作用，用于预防或治疗各种涉及chymase的疾病的方法，以及用于预防或治疗各种涉及chymase的疾病的药物组合物，包括具有式(I)的化合物或其药学上可接受的盐或其溶剂合物的药物组合物。
• 7-membered ring compound and method of production and pharmaceutical application thereof
  申请人：Muto Tsuyoshi

  公开号：US20090111796A1

  公开（公告）日：2009-04-30

  A 7-membered heterocyclic compound having the formula (I), or its salt, or a solvate thereof with a chymase inhibitory action and useful for the prevention or treatment of various diseases, in which chymase is involved: a method for producing the same, and a pharmaceutical composition useful for the prevention or treatment of diseases, in which chymase is involved, including the compound of having the formula (I), or its pharmaceutically acceptable salt, or a solvate thereof are provided.

  提供了一种具有以下公式（I）或其盐或溶剂化物的七元杂环化合物，具有抑制chymase作用，可用于预防或治疗各种涉及chymase的疾病的方法，以及用于预防或治疗这些疾病的制药组合物，包括具有以下公式（I）或其药学上可接受的盐或溶剂化物的化合物。