3-(4-溴苯基)-N-甲基丙烷-1-胺 | 886763-02-6

• 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: 3-(4-溴苯基)-N-甲基丙烷-1-胺
• 中文别名: 4-溴-N-甲基-苯丙胺
• 英文名称: N-methyl-3-(4-bromophenyl)propylamine
• 英文别名: 3-(4-bromophenyl)-N-methylpropan-1-amine
• CAS: 886763-02-6
• 化学式: C₁₀H₁₄BrN
• 分子量: 228.132
• InChiKey: VWLZLDJXIKGKFJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(4-溴苯基)-N-甲基丙烷-1-胺 、 异氰酸间氰基苯酯 在 乙酸乙酯 、 hexanes 作用下， 以 二氯甲烷 为溶剂， 反应 16.0h， 以to yield 22C (430 mg, 88%) as a clear oil的产率得到1-(3-(4-bromophenyl)propyl)-3-(3-cyanophenyl)-1-methylurea
  参考文献：
  名称：

  MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS

  摘要：

  本发明涉及一般的新型大环化合物，其化学式为（I）或其立体异构体、互变异构体、药学上可接受的盐、溶剂化合物或前药，其中变量A、B、L、M、W、Z、R1、R2、R3、R4、R5、R6、R7、R8、R9和R10如本文中所定义。这些化合物是选择性抑制剂凝血因子VIIa的丝氨酸蛋白酶，可用作药物。

  公开号：

  US20090281139A1
• 作为产物：
  描述：

  3-(4-溴苯基)丙酸 在 硼烷四氢呋喃络合物 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.5h， 生成 3-(4-溴苯基)-N-甲基丙烷-1-胺
  参考文献：
  名称：

  [EN] IMIDAZO [2, 1-F] [1, 2, 4] TRIAZIN-4-AMINE DERIVATIVES AS TLR7 AGONIST
  [FR] DÉRIVÉS D'IMIDAZO[2,1-F] [1, 2, 4] TRIAZIN-4-AMINE UTILISÉS EN TANT QU'AGONISTES DE TLR7

  摘要：

  披露的是一种咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐，用作TLR7激动剂，以及包含该化合物的药物组合物。还披露了一种使用咪唑[2,1-f][1,2,4]三嗪-4-胺衍生物或其立体异构体，或其药用可接受盐作为TLR7激动剂来治疗癌症的方法。

  公开号：

  WO2020160711A1

文献信息

• INHIBITORS OF FATTY ACID AMIDE HYDROLASE
  申请人：INFINITY PHARMACEUTICALS, INC.

  公开号：US20150368278A1

  公开（公告）日：2015-12-24

  The present invention provides compounds, and pharmaceutically acceptable compositions thereof, encompassed by any of formulae (I), (II), (III), (IV), (V), or (VI), or subgenera thereof. The present invention also provides methods for treating an FAAH mediated disease, disorder or condition by administering a therapeutically effective amount of a compound or composition comprising a compound of any of formulae (I), (II), (III), (IV), (V), or (VI), or subgenera thereof, to a patient in need thereof. Additionally, the present invention provides methods for inhibiting FAAH by administering a therapeutically effective amount of a compound or composition comprising a compound of any of formulae (I), (II), (III), (IV), (V), or (VI), or subgenera thereof, to a patient in need thereof.

  本发明提供了由任何公式（I）、（II）、（III）、（IV）、（V）或（VI）中的任何化合物及其药学上可接受的组合物所包含的范围，或其亚属所包含的范围。本发明还提供了通过向需要的患者投与任何公式（I）、（II）、（III）、（IV）、（V）或（VI）中的任何化合物或其组合物的治疗有效量来治疗FAAH介导的疾病、紊乱或症状的方法。此外，本发明提供了通过向需要的患者投与任何公式（I）、（II）、（III）、（IV）、（V）或（VI）中的任何化合物或其组合物的治疗有效量来抑制FAAH的方法。
• MACROCYCLIC FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS
  申请人：Priestley Eldon Scott

  公开号：US20090281139A1

  公开（公告）日：2009-11-12

  The present invention relates generally to novel macrocycles of Formula (I): or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein the variables A, B, L, M, W, Z, R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , R 9 , and R 10 are as defined herein. These compounds are selective inhibitors of the serine protease coagulation factor VIIa which can be used as medicaments.

  本发明涉及一般的新型大环化合物，其化学式为（I）或其立体异构体、互变异构体、药学上可接受的盐、溶剂化合物或前药，其中变量A、B、L、M、W、Z、R1、R2、R3、R4、R5、R6、R7、R8、R9和R10如本文中所定义。这些化合物是选择性抑制剂凝血因子VIIa的丝氨酸蛋白酶，可用作药物。
• [EN] COMPOUNDS AND METHODS OF TREATING TUBERCULOSIS<br/>[FR] COMPOSÉS ET MÉTHODES DE TRAITEMENT DE LA TUBERCULOSE
  申请人：FIMBRION THERAPEUTICS INC

  公开号：WO2022236182A1

  公开（公告）日：2022-11-10

  The present disclosure relates to various compounds and compositions which are useful for the treatment of tuberculosis and other diseases such as infections caused byMycobacterium tuberculosis. The present disclosure also relates to various methods of using these compounds and compositions to treat tuberculosis and other diseases such as infections caused byMycobacterium tuberculosis. Further, the present disclosure relates to processes of preparing these compounds and compositions.

  本公开涉及各种化合物和组合物，这些化合物和组合物对于治疗结核病和其他疾病（如由结核分枝杆菌引起的感染）非常有用。本公开还涉及使用这些化合物和组合物治疗结核病和其他疾病（如由结核分枝杆菌引起的感染）的各种方法。此外，本公开还涉及制备这些化合物和组合物的过程。
• WO2007/76431
  申请人：——

  公开号：——

  公开（公告）日：——
• Structure-based optimization of FDA-approved drug methylene blue as a c-myc G-quadruplex DNA stabilizer
  作者：Daniel Shiu-Hin Chan、Hui Yang、Maria Hiu-Tung Kwan、Zhen Cheng、Paul Lee、Li-Ping Bai、Zhi-Hong Jiang、Chun-Yuen Wong、Wang-Fun Fong、Chung-Hang Leung、Dik-Lung Ma

  DOI：10.1016/j.biochi.2011.02.013

  日期：2011.6

  G-quadruplexes are non-canonical DNA secondary structures putatively present in the promoter regions of oncogenes in the human genome. The targeting of promoter G-quadruplex structures to repress oncogene transcription represents a potential anticancer strategy. Here, we have used high-throughput virtual screening to identify FDA-approved drug methylene blue (MB) as a promising scaffold for binding the c-myc oncogene G-quadruplex DNA. Based on molecular docking analysis of MB to the c-myc G-quadruplex, we designed and screened 50 MB derivatives containing side chains that could interact with the G-quadruplex grooves. As a proof-of-concept, the highest-scoring compounds were synthesized and the interactions with the c-myc G-quadruplex were investigated using the FID assay. The results showed that the methylene blue derivatives 6a-c were able to bind to the c-myc G-quadruplex with greater binding affinity compared to the known G-quadruplex binding ligand, crystal violet. The activity of the most potent compound identified from the FID assay, 6b, as an inhibitor for polymerase-drive DNA extension was examined using a PCR-stop assay and compared against that of the parent compound methylene blue. The results of the PCR-stop assay showed that the addition of the side chain improved the activity of the derivatives as an inhibitor compared to the parent compound. The MB derivative 6b was shown to be highly selective towards c-myc G-quadruplex over double-stranded DNA and other cellular biological models, and displayed higher cytoxicity against human hepatocarcinoma cells compared to the parent compound, MB. biologically relevant G-quadruplexes using UV-visible spectroscopy and mass spectrometry, respectively. The MB derivative 6b could induce or stabilize c-myc G-quadruplex formation in both cell-free and (C) 2011 Elsevier Masson SAS. All rights reserved.