N-[2-(3-溴苯基)乙基]-N-甲胺 | 785032-26-0

• 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-[2-(3-溴苯基)乙基]-N-甲胺
• 英文名称: 2-(3-bromophenyl)-N-methylethanamine
• 英文别名: [2-(3-bromo-phenyl)-ethyl]-methyl-amine；N-[2-(3-Bromophenyl)ethyl]-N-methylamine
• CAS: 785032-26-0
• 化学式: C₉H₁₂BrN
• mdl: MFCD12827851
• 分子量: 214.105
• InChiKey: IJCWRWHKCBWPDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  264.8±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)：
  2.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  N-[2-(3-溴苯基)乙基]-N-甲胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 potassium carbonate 作用下， 以 水 、 二甲基亚砜 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 4.5h， 生成 2-(3-(2-(3-(3-(((benzyloxycarbonyl)(methyl)amino)methyl)-4-(cyclopropylsulfonyl)phenyl)-1-methylureido)ethyl)phenyl)-2-(1-(bis(tertbutoxycarbonyl)amino)isoquinolin-6-ylamino)acetic acid
  参考文献：
  名称：

  新型Meta-linked苯甘氨酸大环FVIIa抑制剂的设计与合成

  摘要：

  已经设计了两种新颖的基于间联苯基苯甘氨酸的大环FVIIa抑制剂系列，以改善啮齿动物的代谢稳定性和前体对联苯基苯甘氨酸大环化合物所观察到的PK。通过基于迭代结构的设计和优化，TF / FVIIa K i被提高到亚纳摩尔水平，具有良好的凝结活性，代谢稳定性和通透性。

  DOI：

  10.1021/acsmedchemlett.6b00375
• 作为产物：
  描述：

  2-(3-bromophenyl)ethylformamide 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 生成 N-[2-(3-溴苯基)乙基]-N-甲胺
  参考文献：
  名称：

  Structure–activity correlations for β-phenethylamines at human trace amine receptor 1

  摘要：

  A cell line in which RD-HGA16 cells were stably transfected with the hTAAR 1 receptor was created and utilized to carry out a systematic evaluation of a series of beta-phenethylamines. Fair agreement was observed with data obtained for aryl and ethylene chain substituted analogs in an AV12-664 cell line in which hemagglutinin-tagged hTAAR 1 was stably co-expressed with rat Gas. Analogs with multiple substituents as well as analogs with bulky groups were found to be partial agonists. Analogs in which the primary amino group was converted to a secondary or a tertiary amino group by N-methylation were also partial agonists. Comparative Molecular Field Analysis (CoMFA) using the potency data yielded a regression coefficient r(2) of 0.824. The steric field contribution to the model was 61% with the balance (39%) contributed by the electrostatic field. The collective results suggest that increasing steric bulk both at the amino nitrogen, particularly by N-dimethylation, and at the 4-position of the aromatic ring leads to low efficacy ligands. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2008.06.009

文献信息

• Synthesis and evaluation of [11C]Cimbi-806 as a potential PET ligand for 5-HT7 receptor imaging
  作者：Matthias M. Herth、Hanne D. Hansen、Anders Ettrup、Agnete Dyssegaard、Szabolcs Lehel、Jesper Kristensen、Gitte M. Knudsen

  DOI：10.1016/j.bmc.2012.05.005

  日期：2012.7

  this study, we describe the synthesis, radiolabeling and in vivo evaluation of [11C]2-(2′,6′-dimethoxy-[1,1′-biphenyl]-3-yl)-N,N-dimethylethanamine ([11C]Cimbi-806) as a radioligand for imaging brain 5-HT7 receptors with positron emission tomography (PET). Precursor and reference compound was synthesized and subsequent 11C-labelling with [11C]methyltriflate produced [11C]Cimbi-806 in specific activities

  2-（2'，6'-二甲氧基-[1,1'-联苯] -3-基）-N，N-二甲基乙胺已被确定为5-羟色胺7（5-HT 7）受体的有效配体。在这项研究中，我们描述了[ 11 C] 2-（2'，6'-二甲氧基-[1,1'-联苯] -3-基）-N，N-二甲基乙胺（ [ 11 C] Cimbi-806）作为放射性配体，用于通过正电子发射断层扫描（PET）对大脑5-HT 7受体进行成像。合成了前体和参考化合物，随后用[ 11 C]三氟甲磺酸甲酯进行了11 C标记[ 11C] Cimbi-806的特定活动范围为50至300 GBq /μmol。静脉注射后，用PET对丹麦长白猪的脑吸收和[ 11 C] Cimbi-806的分布进行了评估。时间-活动曲线显示丘脑和纹状体区域的大脑摄取量很高（SUV约为2.5），动力学模型导致分布体积（V T）从小脑的6 mL / cm 3到丘脑的12 mL / cm 3。用5-HT
• Combination of a 5-HT7 receptor ligand and an opioid receptor ligand
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1997493A1

  公开（公告）日：2008-12-03

  The present invention refers to a combination of a 5HT7 receptor ligand and an opioid recptor ligand, especially of a 5HT7 receptor agonist and an opioid recptor agonist, a medicament comprising this combination, or the use of this combination for the treatment of the symptoms of pain, the prevention or the prophylaxis of the symptoms of pain.

  本发明涉及一种5HT7受体配体和阿片受体配体的组合，特别是一种5HT7受体激动剂和阿片受体激动剂，包含该组合的药物，或者利用该组合治疗疼痛症状，预防或预防疼痛症状的用途。
• [EN] ANTI-CANCER AGENTS<br/>[FR] AGENTS ANTICANCEREUX
  申请人：UNIV QUEENSLAND

  公开号：WO2005051901A1

  公开（公告）日：2005-06-09

  The present invention provides compounds having the strucutural formula (I) and methods for the treatment of cancer using compounds of formula (I).

  本发明提供具有结构式（I）的化合物以及使用结构式（I）化合物治疗癌症的方法。
• Heterocyclyl-substituted-ethylamino-phenyl derivatives, their preparation and use as medicaments
  申请人：Laboratorios del Dr. Esteve S.A.

  公开号：EP1935886A1

  公开（公告）日：2008-06-25

  The present invention relates to heterocyclyl-substituted-ethylamino-phenyl compounds of general formula (I) wherein K-L-M-N, Z and R1, R2, R3, R4 are described in the claims, methods for their preparation, medicaments comprising these compounds as well as their use for the preparation of a medicament for the treatments of humans or animals.

  本发明涉及一般式（I）的杂环取代乙基氨基苯化合物，其中K-L-M-N，Z和R1，R2，R3，R4在权利要求书中描述，其制备方法，包括这些化合物的药物以及它们用于制备用于治疗人类或动物的药物的用途。
• Anti-Cancer Agents
  申请人：Fairlie David

  公开号：US20080004290A1

  公开（公告）日：2008-01-03

  The present invention provides compounds having the structural formula (I): and methods for the treatment of cancer using compounds of formula (I).

  本发明提供了具有结构式(I)的化合物，并使用结构式(I)化合物的方法来治疗癌症。