N-乙基-3-溴苄胺 | 90389-91-6

• 物质功能分类: 有机原料 - 氨基化合物
• 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: N-乙基-3-溴苄胺
• 英文名称: N-(3-bromobenzyl)ethanamine
• 英文别名: ethyl-(3-bromo-benzyl)-amine；Aethyl-(3-brom-benzyl)-amin；N-ethyl-3-bromobenzylamine；N-[(3-bromophenyl)methyl]ethanamine
• CAS: 90389-91-6
• 化学式: C₉H₁₂BrN
• 分子量: 214.105
• InChiKey: ZKUHSZJORZCOFE-UHFFFAOYSA-N

物化性质

• 沸点：
  254.3±15.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090
• 包装等级：
  III
• 危险类别：
  6.1
• 危险性防范说明：
  P301+P310
• 危险品运输编号：
  2810
• 危险性描述：
  H301
• 储存条件：
  室温且干燥环境下使用。

反应信息

• 作为反应物：
  描述：

  N-乙基-3-溴苄胺 在 四(三苯基膦)钯 、 sodium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 tert-butyl ethyl((2'-methoxy-[1,1'-biphenyl]-3-yl)methyl)carbamate
  参考文献：
  名称：

  N ‐(Biphenyl‐3‐ylmethyl)ethanamines as G protein‐biased agonists of 5‐HT ₇ R

  摘要：

  AbstractThere has been much attention to biased ligands of G protein‐coupled receptors (GPCRs) for potential pharmacological benefits. Recently, we reported N‐((6‐chloro‐2'‐methoxy‐[1,1'‐biphenyl]‐3‐yl)methyl)ethanamine 1 as G protein‐biased agonist of 5‐HT7R, which could be used as a chemical probe for the study on treatment discovery of autism spectrum disorder. Herein, we describe the synthesis of derivatives of the compound 1 and their biological evaluations in both G protein and β‐arrestin signaling pathway. Total 16 compounds were synthesized and evaluated, and the compounds 3c, 3f, 3i, and 3p could be called as G protein‐biased agonists like the compound 1. Among the four compounds, the compound 3c was the best in efficacy with an Emax value of 73% and the compound 3f was the most potent agonist with an EC50 value of 0.094 μM.

  DOI：

  10.1002/bkcs.12427
• 作为产物：
  描述：

  N-(3-溴苯亚甲基)乙胺 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 生成 N-乙基-3-溴苄胺
  参考文献：
  名称：

  Reactions of N-(chlorobenzyl)alkylamines with sodium methoxide in methanol. Steric effects in elimination reactions

  摘要：

  DOI：

  10.1021/jo00230a018

文献信息

• GLYCINE COMPOUND
  申请人：Yoshihara Kousei

  公开号：US20120184520A1

  公开（公告）日：2012-07-19

  [Problem] The present invention provides a compound which is useful as an active ingredient of a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases. [Means for Solution] The present inventors have conducted intensive studies on a compound having a VAP-1 inhibitory activity, and as a result, they have found that a compound of the present invention or a salt thereof exhibits an excellent VAP-1 inhibitory activity and is useful for preventing and/or treating VAP-1-related diseases, in particular, diabetic nephropathy or diabetic macular edema, thereby completing the present invention. The present invention further relates to a pharmaceutical composition, in particular, a pharmaceutical composition for preventing and/or treating VAP-1-related diseases, which comprises the compound of the present invention or a salt thereof, and an excipient.

  本发明提供了一种化合物，该化合物可用作药物组合物的活性成分，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物。 本发明的解决方案是，本发明者对具有VAP-1抑制活性的化合物进行了深入研究，结果发现本发明的化合物或其盐表现出优异的VAP-1抑制活性，并且对于预防和/或治疗与VAP-1相关的疾病，特别是糖尿病肾病或糖尿病黄斑水肿，具有用处，从而完成了本发明。本发明还涉及一种药物组合物，特别是用于预防和/或治疗与VAP-1相关的疾病的药物组合物，其包括本发明的化合物或其盐以及赋形剂。
• Process for producing enyne derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US05231183A1

  公开（公告）日：1993-07-27

  A process for producing an enyne derivative, and intermediate, which is useful for preparing compounds showing strong inhibiting activities against squalane.epoxidase of Eumycetes and strong anti-cholesterol activities. The process comprises reacting a compound of the formula: Z--CH.sub.2 --CH.dbd.CH--W [I] wherein W is a halogen atom, and Z is a leaving group, with an amine in the presence of a base, if necessary, to obtain a compound of the formula: ##STR1## then reacting an acetylene derivative to this compound in the presence of a palladium catalyst, to obtain a compound of the formula: ##STR2## and, if necessary, N-alkylating this compound.

  生产烯烃衍生物的过程，以及中间体，该中间体对制备显示强抑制Eumycetes角鲨烷环氧化酶和强抗胆固醇活性的化合物很有用。该过程包括在碱存在的情况下，将具有以下式的化合物：Z--CH.sub.2 --CH.dbd.CH--W [I]（其中W是卤素原子，Z是离去基团）与胺反应，以获得具有以下式的化合物：##STR1## 然后在钯催化剂存在下将乙炔衍生物与该化合物反应，以获得具有以下式的化合物：##STR2## 并在必要时对该化合物进行N-烷基化。
• [EN] ORAL COMPLEMENT FACTOR D INHIBITORS<br/>[FR] INHIBITEURS DE FACTEUR D DU COMPLÉMENT ORAL
  申请人：BIOCRYST PHARM INC

  公开号：WO2021072156A1

  公开（公告）日：2021-04-15

  Disclosed are compounds of formula (I)-(IV), and pharmaceutically acceptable salts thereof, which are inhibitors of the complement system. Also provided are pharmaceutical compositions comprising such a compound, and methods of using the compounds and compositions in the treatment or prevention of a disease or condition characterized by aberrant complement system activity.

  揭示了式(I)-(IV)的化合物及其药用可接受的盐，这些化合物是补体系统的抑制剂。还提供了包含这种化合物的药物组合物，以及使用这些化合物和组合物治疗或预防由异常补体系统活动特征的疾病或状况的方法。
• Investigation of a tetrahydroisoquinoline scaffold as dual-action steroid sulfatase inhibitors generated by parallel solid-phase synthesis
  作者：Étienne Ouellet、René Maltais、Charles Ouellet、Donald Poirier

  DOI：10.1039/c3md20354a

  日期：——

  Various derivatives of the tetrahydroisoquinoline core were designed as non-steroidal dual-action inhibitors of steroid sulfatase (STS). Sulfamate derivatives and their corresponding phenol derivatives were both synthesized by parallel solid-phase chemistry. The sulfamate compounds were tested for their ability to inhibit STS activity, whereas the phenol compounds were tested for their ability or non-ability

  四氢异喹啉核心的各种衍生物被设计为类固醇硫酸酯酶（STS）的非类固醇双作用抑制剂。氨基磺酸衍生物及其相应的苯酚衍生物均通过平行固相化学合成。测试了氨基磺酸酯化合物抑制STS活性的能力，而测试了酚化合物诱导雌激素依赖性MCF-7和Saos-2细胞增殖的能力或非能力。有趣的是，许多氨基磺酸衍生物对酶表现出良好的抑制活性（0.1μM时抑制率为80-90％），而四种酚衍生物对MCF-7细胞没有有害的雌激素活性，但诱导了Saos-2细胞的增殖，因此提示选择性雌激素受体调节剂的潜力。
• Intermediates for producing enyne derivatives
  申请人：Banyu Pharmaceutical Co., Ltd.

  公开号：US05436354A1

  公开（公告）日：1995-07-25

  (E)-N-(3-Chloro-2-propenyl)-N-methyl-1naphthylenemethanamine and (E)-3-chloro-N-(3-chloro-2-propenyl)-N-methylbenzo[b]thiophene-7-methanami ne which are useful as intermediates in the production of enyne compounds which exhibit squalene epoxidase inhibiting activity and anti-Eumycetes activity.

  (E)-N-(3-氯-2-丙烯基)-N-甲基-1-萘甲胺和(E)-3-氯-N-(3-氯-2-丙烯基)-N-甲基苯并[b]噻吩-7-甲胺是在生产具有角鲨烷环氧酶抑制活性和抗真菌活性的炔烃化合物中有用的中间体。