tert-butyl (4-(methylamino)benzyl)carbamate | 697306-51-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: tert-butyl (4-(methylamino)benzyl)carbamate
• 英文别名: (4-methylaminobenzyl)carbamic acid tert-butyl ester；Tert-butyl [4-(methylamino)benzyl]carbamate；tert-butyl N-[[4-(methylamino)phenyl]methyl]carbamate
• CAS: 697306-51-7
• 化学式: C₁₃H₂₀N₂O₂
• 分子量: 236.314
• InChiKey: SSFHZITVVKTCQB-UHFFFAOYSA-N

物化性质

• 沸点：
  386.3±35.0 °C(Predicted)
• 密度：
  1.073±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  tert-butyl (4-(methylamino)benzyl)carbamate 在 2-双环己基膦-2',6'-二甲氧基联苯 、 palladium diacetate 、 potassium carbonate 、 三乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 35.0h， 生成 N-(4-aminomethylphenyl)-N-methyl-N'-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]terephthalamide bistrifluoroacetic acid salt
  参考文献：
  名称：

  [EN] NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE
  [FR] NOUVEAUX COMPOSÉS CONTENANT DU BIS-AMIDE PRÉSENTANT UNE ACTIVITÉ ANTIFONGIQUE ET LEUR MÉTHODE D'UTILISATION

  摘要：

  Pharmaceutical compositions of the invention comprise herteroaromatic compounds having a disease-modifying action in the treatment of fungal infections and diseases associated with fungal infection.

  公开号：

  WO2023287736A1
• 作为产物：
  描述：

  二碳酸二叔丁酯 以 乙醇 、 水 、 乙酸乙酯 为溶剂， 反应 18.0h， 生成 tert-butyl (4-(methylamino)benzyl)carbamate
  参考文献：
  名称：

  [EN] NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE
  [FR] NOUVEAUX COMPOSÉS CONTENANT DU BIS-AMIDE PRÉSENTANT UNE ACTIVITÉ ANTIFONGIQUE ET LEUR MÉTHODE D'UTILISATION

  摘要：

  Pharmaceutical compositions of the invention comprise herteroaromatic compounds having a disease-modifying action in the treatment of fungal infections and diseases associated with fungal infection.

  公开号：

  WO2023287736A1

文献信息

• [EN] AMINE COMPOUNDS<br/>[FR] DERIVES D'INDOLE SERVANT D'ANTAGONISTE DE SOMATOSTATINE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2004046107A1

  公开（公告）日：2004-06-03

  The present invention provide a compound of the formula (I) wherein ring A represents an aromatic ring optionally having substituents; B, Y and Ya are the same or different and each represents a bond, etc.; R1 and R2 are the same or different and each represents a hydrogen atom, etc.; R3 represents a hydrogen atom, etc.; R4 and R5 are the same or different and each represents a hydrogen, etc.; R6 represents an indolyl group optionally having substituents; and Z and Za are the same or different and each represents a hydrogen atom, etc.; or a salt thereof or a prodrug thereof, having a somatostatin receptor binding inhibition activity and is useful for preventing and/or treating diseases associated with somatostatin.

  本发明提供了一种公式(I)的化合物，其中环A代表一个具有可选取代基的芳香环；B、Y和Ya相同或不同，分别代表一个键等；R1和R2相同或不同，每个代表一个氢原子等；R3代表一个氢原子等；R4和R5相同或不同，每个代表一个氢等；R6代表一个可选有取代基的吲哚基团；Z和Za相同或不同，每个代表一个氢原子等；或其盐或前药，具有生长抑素受体结合抑制活性，并且用于预防或治疗与生长抑素相关的疾病。
• BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF
  申请人：SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD.

  公开号：US20200347075A1

  公开（公告）日：2020-11-05

  The disclosure relates to a bioactive molecule conjugate, preparation methods and use thereof, particularly relates to a novel bioactive molecule conjugate obtained by improving coupling of the drug and the targeting moiety in an ADC or SMDC, as well as its preparation method and use in the manufacture of a medicament for the treatment of a disease associated with an abnormal cell activity.

  该披露涉及一种生物活性分子结合物，其制备方法及用途，特别涉及通过改善药物与靶向基团在ADC或SMDC中的偶联而获得的一种新型生物活性分子结合物，以及其制备方法和用于制造用于治疗与异常细胞活性相关的疾病的药物。
• Synthesis and structure-activity relationships of small-molecular di-basic esters, amides and carbamates as flaviviral protease inhibitors
  作者：Tom R. Sundermann、Clarissa V. Benzin、Tonko Dražić、Christian D. Klein

  DOI：10.1016/j.ejmech.2019.05.025

  日期：2019.8

  reported as inhibitor of the dengue protease with potency in the low-micromolar range. In the present study, this lead structure was modified with the intent to explore structure-activity relationships and obtain compounds with increased drug-likeness. Substitutions of the guanidine moieties, the aromatic rings, and the ester with other functionalities were evaluated. All changes were accompanied by

  在登革热和西尼罗河病毒的复制中至关重要的黄病毒丝氨酸蛋白酶抑制剂在过去几年中引起了广泛关注。先前已经报道了二元4-胍基苯甲酸酯作为登革蛋白酶的抑制剂，其效力在低微摩尔范围内。在本研究中，对这种先导结构进行了修饰，目的是探索结构与活性之间的关系并获得具有增加的药物相似性的化合物。评价了胍基部分，芳环和具有其他官能团的酯的取代。所有变化都伴随着抑制作用的丧失，表明4-胍基苯甲酸酯支架是该化合物类别的必要元素。
• Indole derivatives as somatostatin agonists or antagonists
  申请人：Abe Hidenori

  公开号：US20060223826A1

  公开（公告）日：2006-10-05

  The present invention provide a compound of the formula (I) wherein ring A represents an aromatic ring optionally having substituents; B, Y and Ya are the same or different and each represents a bond, etc.; R 1 and R 2 are the same or different and each represents a hydrogen atom, etc.; R 3 represents a hydrogen atom, etc.; R 4 and R 5 are the same or different and each represents a hydrogen, etc.; R 6 represents an indolyl group optionally having substituents; and Z and Za are the same or different and each represents a hydrogen atom, etc.; or a salt thereof or a prodrug thereof, having a somatostatin receptor binding inhibition activity and is useful for preventing and/or treating diseases associated with somatostatin.

  本发明提供了一种化合物(I)的公式，其中环A代表一种芳香环，可选地具有取代基; B、Y和Ya相同或不同，每个代表一种键等; R1和R2相同或不同，每个代表一个氢原子等; R3代表一个氢原子等; R4和R5相同或不同，每个代表一个氢等; R6代表一种吲哚基，可选地具有取代基; Z和Za相同或不同，每个代表一个氢原子等; 或其盐或前药，具有生长抑素受体结合抑制活性，并用于预防和/或治疗与生长抑素相关的疾病。
• DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY
  申请人：Hughes Adam

  公开号：US20130137665A1

  公开（公告）日：2013-05-30

  This invention relates to a compound of formula I: or a pharmaceutically acceptable salt thereof. Such compounds possess both muscarinic receptor antagonist and β 2 adrenergic receptor agonist activities. The invention also relates to pharmaceutical compositions comprising such compounds, processes and intermediates for preparing such compounds, and methods of using such compounds as bronchodilating agents to treat pulmonary disorders.

  本发明涉及公式I的化合物或其药学上可接受的盐。此类化合物具有毒蕈碱受体拮抗剂和β2肾上腺素受体激动剂活性。本发明还涉及包含此类化合物的制药组合物，制备此类化合物的过程和中间体，以及将此类化合物用作支气管扩张剂治疗肺部疾病的方法。