1-(溴甲基)-4-(三氟甲基磺酰基)苯 | 118089-89-7

• 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: 1-(溴甲基)-4-(三氟甲基磺酰基)苯
• 英文名称: 4-(trifluoromethylsulfonyl)benzyl bromide
• 英文别名: 1-(bromomethyl)-4-(trifluoromethylsulfonyl)benzene；1-bromomethyl-4-trifluoromethanesulfonyl-benzene；Benzene, 1-(bromomethyl)-4-[(trifluoromethyl)sulfonyl]-
• CAS: 118089-89-7
• 化学式: C₈H₆BrF₃O₂S
• 分子量: 303.1
• InChiKey: HOUVBAVXMFCMRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  321.5±42.0 °C(Predicted)
• 密度：
  1.711±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  42.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(溴甲基)-4-(三氟甲基磺酰基)苯 在 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 27.0h， 生成 5,7-dimethoxy-2-(4-{4-[(trifluoromethyl)sulfonyl]benzyl}piperazin-1-yl)-4H-chromen-4-one
  参考文献：
  名称：

  Flavonoid derivatives as selective ABCC1 modulators: Synthesis and functional characterization

  摘要：

  A series of chromones, bearing substituted amino groups or N-substituted carboxamide moieties in position 2, was synthesized and characterized in cellular assays for modulation of the ABC transporters ABCC1 (MDCKII-MRP1 cells), ABCB1 (Kb-V1 cells) and ABCG2 (MCF-7/Topo cells). The most potent ABCC1 modulators identified among these flavonoid-type compounds were comparable to the reference compound reversan regarding potency, but superior in terms of selectivity concerning ABCB1 and ABCG2 (2-[4-(Benzo[c][1,2,5]oxadiazol-5-ylmethyl)piperazin-1-yl]-5,7-dimethoxy-4H-chromen-4-one (51): ABCC1, IC50 11.3 mu M; inactive at ABCB1 and ABCG2). Compound 51 was as effective as reversan in reverting ABCC1-mediated resistance to cytostatics in MDCKII-MRP1 cells and proved to be stable in mouse plasma and cell culture medium. Modulators, such as compound 51, are of potential value as pharmacological tools for the investigation of the (patho)physiological role of ABCC1. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.12.010
• 作为产物：
  描述：

  4-(三氟甲硫基)苯甲基溴 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以89.3%的产率得到1-(溴甲基)-4-(三氟甲基磺酰基)苯
  参考文献：
  名称：

  [EN] TEAD INHIBITORS AND USES THEREOF
  [FR] INHIBITEURS DE TEAD ET LEURS UTILISATIONS

  摘要：

  本发明提供了化合物、其组合物以及使用它们的方法。

  公开号：

  WO2020243423A1

文献信息

• COLD MENTHOL RECEPTOR-1 ANTAGONISTS
  申请人：Colburn Raymond W.

  公开号：US20120053347A1

  公开（公告）日：2012-03-01

  The invention is directed to TRPM8 antagonists of Formula (I). More specifically, the present invention relates to certain novel compounds, methods for preparing compounds, compositions, intermediates and derivatives thereof and methods for treating TRPM8-mediated disorders. Pharmaceutical and veterinary compositions and methods of treating pain and various other disease states or conditions using compounds of the invention are also described.

  这项发明涉及式(I)的TRPM8拮抗剂。更具体地，本发明涉及某些新颖化合物，制备化合物的方法，组合物，中间体及其衍生物，以及治疗TRPM8介导的疾病的方法。还描述了使用本发明化合物治疗疼痛和各种其他疾病状态或病情的药用和兽医组合物及治疗方法。
• [EN] SULFONAMIDES AS TRPM8 MODULATORS<br/>[FR] SULFONAMIDES COMME MODULATEURS TRPM8
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2009012430A1

  公开（公告）日：2009-01-22

  ABSTRACT Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula (I) as follows: wherein A, B, G, Y, R1, R2, R3, and R4 are defined herein.

  摘要：本文披露了用于治疗各种疾病、综合症、症状和疾病的化合物、组合物和方法，包括疼痛。这些化合物由以下公式（I）表示：其中A、B、G、Y、R1、R2、R3和R4在此处定义。
• [EN] HPPARS ACTIVATORS<br/>[FR] ACTIVATEURS DE HPPARS
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2003074495A1

  公开（公告）日：2003-09-12

  Compounds of formula (1) or a pharmaceutically acceptable salt, solvate, acid isostere, or hydrolyzable ester thereof, are disclosed. Methods of making and using the compounds are also disclosed. In particular methods for treating diseases or conditions associated with one or more of human PPAR alpha, gamma, or delta ('hPPARs') comprising administration of a therapeutically effective amount of a compound of formula (1), are disclosed.

  公式（1）的化合物或其药学上可接受的盐、溶剂合物、酸异构体或可水解酯已被披露。还披露了制备和使用这些化合物的方法。具体披露了用于治疗与人类PPARα、γ或δ（'hPPARs'）中的一个或多个相关疾病或症状的方法，包括给予公式（1）的化合物的治疗有效量。
• SULFONAMIDES AS TRPM8 MODULATORS
  申请人：Branum Shawn T.

  公开号：US20120190674A1

  公开（公告）日：2012-07-26

  Disclosed are compounds, compositions and methods for treating various diseases, syndromes, conditions and disorders, including pain. Such compounds are represented by Formula I as follows: wherein A, B, G, Y, R 1 , R 2 , R 3 , and R 4 are defined herein.

  揭示了用于治疗各种疾病、综合征、症状和疾病的化合物、组合物和方法，包括疼痛。这些化合物由以下的化学式I所代表：其中A、B、G、Y、R1、R2、R3和R4在此处被定义。
• A Novel Synthesis of Deactivated Benzylic Triflones
  作者：Régis Goumont、Nicolas Faucher、Gilles Moutiers、Marc Tordeux、Claude Wakselman

  DOI：10.1055/s-1997-1390

  日期：1997.6

  A two-step synthesis of benzylic triflones, based on the reaction of 2,4,6-trisubstituted phenyl halides 3a-f with the anion of ethyl (trifluoromethanesulfonyl)acetate 1 followed by a decarboxylation reaction, is reported. The structural assignments are supported by spectroscopic data.

  报道了一种两步合成苯甲基三氟磺酰胺的方法，该方法基于2,4,6-取代芳基卤化物3a-f与乙基（三氟甲基磺酰）乙酸盐阴离子1的反应，随后进行脱羧反应。结构的分配得到光谱数据的支持。