3-溴甲基-4-硝基苯甲酸 | 916791-27-0

• 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: 3-溴甲基-4-硝基苯甲酸
• 中文别名: 3-(溴甲基)-4-硝基苯甲酸
• 英文名称: 3-(bromomethyl)-4-nitrobenzoicacid
• 英文别名: 4-nitro-3-bromomethylbenzoic acid；3-(Bromomethyl)-4-nitrobenzoic acid
• CAS: 916791-27-0
• 化学式: C₈H₆BrNO₄
• 分子量: 260.044
• InChiKey: YVGHVCRKHIIHPG-UHFFFAOYSA-N

物化性质

• 沸点：
  417.2±40.0 °C(Predicted)
• 密度：
  1.814

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  83.1
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2916399090

反应信息

• 作为反应物：
  描述：

  3-溴甲基-4-硝基苯甲酸 在 三氟化硼乙醚 、 sodium carbonate 作用下， 以 二氯甲烷 、 水 、 丙酮 为溶剂， 反应 18.0h， 生成 ethyl 3-[[[(8Z)-heptadec-8-en-1-ylcarbamoyl]oxy]methyl]-4-nitrobenzoate
  参考文献：
  名称：

  Design and Synthesis of Lipids for the Fabrication of Functional Lipidic Cubic-Phase Biomaterials

  摘要：

  A series of novel lipids with designed functionalities were synthesized. These lipids are based on conjugation of alpha-amino acids and their esters, cationic, anionic, neutral, and photochromic moieties to the lipophilic 9-cis octadecenyl chains by amide, ester, thioester, or amine bonds. Because of the plasticity of lipidic cubic phases, it is envisaged that when mixed with monooleoyl-rac-glycerol (monoolein, MO) and water at appropriate proportions, they would assemble to form bicontinuous lipidic cubic phases (LCPs) that exhibit the well-known material properties of LCPs such as phase stability, optical transparency, and chemical permeability. Moreover, due to the nature and position of the functionality at the headgroup region, we envision them to perform as functional materials by design.

  DOI：

  10.1021/jo301659c
• 作为产物：
  描述：

  3-甲基-4-硝基苯甲酸 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 苯 为溶剂， 反应 12.0h， 以68%的产率得到3-溴甲基-4-硝基苯甲酸
  参考文献：
  名称：

  [EN] SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS
  [FR] ANALOGUES SUBSTITUÉS DE 1H-INDAZOL-1-OL EN TANT QU'INHIBITEURS D'INTERACTIONS PROTÉINE-PROTÉINE BÊTA-CATÉNINE/TCF

  摘要：

  在一个方面，该发明涉及替代的1H-苯并[d][1,2,3]三唑-1-醇类似物，其衍生物以及相关化合物；制备这些化合物的合成方法；包括这些化合物的药物组合物；以及利用这些化合物和组合物治疗与β-连环蛋白/Tcf蛋白相互作用功能障碍相关的疾病，例如各种肿瘤和癌症的方法。本摘要旨在作为在特定领域进行搜索的扫描工具，并不打算限制本发明。

  公开号：

  WO2013120045A1

文献信息

• Near infrared-caged <scp>d</scp>-amino acids multifunctional assembly for simultaneously eradicating biofilms and bacteria
  作者：Weili Wei、Wei Bing、Jinsong Ren、Xiaogang Qu

  DOI：10.1039/c5cc04729c

  日期：——

  Upconversion was used for simultaneous biofilm disassembly and bacteria killing.

  上转换被用于同时解体生物膜和杀灭细菌。
• C1-Phostphonate Analogue of UDP-GlcNAc for Inhibition of O-GlcNAc Transferase
  申请人：SOONCHUNHYANG UNIVERSITY INDUSTRY ACADEMY COOPERATION FOUNDATION

  公开号：US20170022243A1

  公开（公告）日：2017-01-26

  A novel C1-phosphate analogue of uridine-5′-diphosphate (UDP)-GlcNAc as an effective OGT (O-linked N-acetylglucosamine (O-GlcNAc) transferase) inhibitor, and a preparation method for the same provides a compound having an OGT inhibitory effect that can be used as a useful tool in the studies on various vital phenomena in association with the protein modification by O-GlcNAc within cells and furthermore as a candidate substance in the treatment or research of diseases related to the protein modification by O-GlcNAc, such as cancers, diabetes, or degenerative neurological diseases.

  一种新的C1-磷酸尿苷二糖（UDP-GlcNAc）类似物，作为有效的OGT（O-连接N-乙酰葡萄糖胺转移酶）抑制剂，并提供其制备方法，提供了一种具有OGT抑制作用的化合物，可用作细胞内蛋白质修饰与O-GlcNAc相关的各种重要现象的研究工具，进一步作为治疗或研究与O-GlcNAc相关的蛋白质修饰所致疾病（如癌症、糖尿病或退行性神经疾病）的候选物质。
• SUBSTITUTED 1H-INDAZOL-1-OL ANALOGS AS INHIBITORS OF BETA CATENIN/TCF PROTEIN-PROTEIN INTERACTIONS
  申请人：UNIVERSITY OF UTAH RESEARCH FOUNDATION

  公开号：US20150025114A1

  公开（公告）日：2015-01-22

  In one aspect, the invention relates to substituted 1H-benzo[d][1,2,3]triazol-1-ol analgoues, derivatives thereof, and related compound; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders, e.g. various tumors and cancers, associated with β-catenin/Tcf protein-protein interaction dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明在某一方面涉及取代的1H-苯并[d][1,2,3]三唑-1-醇类似物，其衍生物和相关化合物；制备该化合物的合成方法；包含该化合物的药物组合物；以及使用该化合物和组合物治疗与β-catenin/Tcf蛋白质相互作用功能障碍相关的疾病，例如各种肿瘤和癌症的方法。本摘要旨在作为特定领域搜索的工具，不限制本发明。
• Substituted 1H-indazol-1-ol analogs as inhibitors of beta catenin/Tcf protein-protein interactions
  申请人：UNIVERSITY OF UTAH RESEARCH FOUNDATION

  公开号：US09284299B2

  公开（公告）日：2016-03-15

  In one aspect, the invention relates to substituted 1H-benzo[d][1,2,3]triazol-1-ol analgoues, derivatives thereof, and related compound; synthetic methods for making the compounds; pharmaceutical compositions comprising the compounds; and methods of treating disorders, e.g. various tumors and cancers, associated with β-catenin/Tcf protein-protein interaction dysfunction using the compounds and compositions. This abstract is intended as a scanning tool for purposes of searching in the particular art and is not intended to be limiting of the present invention.

  本发明涉及取代的1H-苯并[d][1,2,3]三唑-1-醇类似物、其衍生物和相关化合物；制备该化合物的合成方法；包含该化合物的药物组合物；以及使用该化合物和组合物治疗与β-连环蛋白/Tcf蛋白-蛋白相互作用功能障碍相关的疾病，例如各种肿瘤和癌症的方法。本摘要旨在作为搜索特定领域的扫描工具，不应限制本发明。
• Design, synthesis and identification of novel colchicine-derived immunosuppressant
  作者：Dong-Jo Chang、Eun-Young Yoon、Geon-Bong Lee、Soon-Ok Kim、Wan-Joo Kim、Young-Myeong Kim、Jong-Wha Jung、Hongchan An、Young-Ger Suh

  DOI：10.1016/j.bmcl.2009.05.054

  日期：2009.8

  Synthesis and biological evaluation of various colchicine analogues through the mixed-lymphocyte reaction (MLR), lymphoproliferation, and inhibitory effects on the inflammatory genes are described. In addition, a new series of immunosuppressive agents developed on the structural basis of colchicine, as well as their structure-activity relationships is reported. The most potent analogue 20a exhibited an excellent immunosuppressive activity on in vivo skin-allograft model, which is comparable to that of cyclosporin A. (C) 2009 Elsevier Ltd. All rights reserved.