4-(bromomethyl)-N-cyclohexyl-N-methylbenzenesulfonamide | 133718-19-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-(bromomethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
• CAS: 133718-19-1
• 化学式: C₁₄H₂₀BrNO₂S
• mdl: MFCD21533690
• 分子量: 346.288
• InChiKey: PTCPXPBZRYLJMC-UHFFFAOYSA-N

物化性质

• 沸点：
  438.3±47.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(bromomethyl)-N-cyclohexyl-N-methylbenzenesulfonamide 在 sodium hydride 、 盐酸 作用下， 以 二甲基亚砜 、 水 为溶剂， 反应 0.25h， 生成 {1-[4-(cyclohexyl-methyl-sulfamoyl)benzyl]-5-fluoro-2-methyl-1H-indol-3-yl}acetic acid
  参考文献：
  名称：

  WO2007/65684

  摘要：

  公开号：
• 作为产物：
  描述：

  N-甲基环己胺 、 4-溴甲基苯磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以24.6%的产率得到4-(bromomethyl)-N-cyclohexyl-N-methylbenzenesulfonamide
  参考文献：
  名称：

  Thienopyrroles and pyrrolothiazoles as new therapeutic agents

  摘要：

  本发明涉及一种新型化合物，其化学式为（I），其中变量如本文所定义。化合物（I）可用作CRTH2拮抗剂，因此在治疗某些疾病和疾病方面非常有用，尤其是哮喘、过敏性哮喘、过敏性炎症、鼻炎、过敏性鼻炎或特应性皮炎。

  公开号：

  US20090209609A1

文献信息

• Benzimidazole derivatives
  申请人：British Bio-technology Limited

  公开号：US05314880A1

  公开（公告）日：1994-05-24

  Compounds of general formula I: ##STR1## wherein: each of R.sup.1 -R.sup.8, k, and V represent disclosed functional groups that have been chosen such that all disclosed variations of compound I and their pharmaceutically and veterinarily acceptable acid addition salts and hydrates are antagonists of platelet activating factor (PAF) and as such are useful in the treatment or amelioration of various diseases or disorders mediated by PAF.

  通式I的化合物：##STR1## 其中：R.sup.1 至 R.sup.8，k和V中的每个都表示已选择的已公开的功能基团，使得化合物I的所有公开变体及其药学和兽医学可接受的酸盐和水合物均为血小板活化因子（PAF）的拮抗剂，因此在治疗或缓解由PAF介导的各种疾病或疾患方面是有用的。
• Organic Compounds
  申请人：Sandham David Andrew

  公开号：US20090221578A1

  公开（公告）日：2009-09-03

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R 1 , R 2 , R 4 , R 5 , R 6 , D, X, W, m and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  根据本发明提供了式（I）的化合物，其以自由形式或盐形式存在，其中R1、R2、R4、R5、R6、D、X、W、m和n如规范中所述，以及其制备过程和作为药物的用途。
• Organic compounds
  申请人：Novartis AG

  公开号：US07888383B2

  公开（公告）日：2011-02-15

  There are provided according to the invention compounds of formula (I) in free or salt form, wherein R1, R2, R4, R5, R6, D, X, W, m and n are as described in the specification, process for preparing them, and their use as pharmaceuticals.

  本发明提供了式（I）的化合物，其以自由形式或盐形式提供，其中R1、R2、R4、R5、R6、D、X、W、m和n如规范中所述，以及其制备过程和作为药物的用途。
• Development of new LXR modulators that regulate LXR target genes and reduce lipogenesis in human cell models
  作者：Ove Alexander Høgmoen Åstrand、Ingvei Gikling、Ingebrigt Sylte、Arild Christian Rustan、G. Hege Thoresen、Pål Rongved、Eili Tranheim Kase

  DOI：10.1016/j.ejmech.2014.01.003

  日期：2014.3

  Four new mimics of 22-S-hydroxycholesterol (22SHC) were synthesized and evaluated using molecular modeling and tested in human muscle cells (primary myotubes) and hepatocytes (HepG2 cells). The new compounds (9, 12, 15a and 15b) showed good interrelationship between docking scores, to both LXR alpha and LXR beta, and in vitro results. The LXR agonist T0901317 increased the expressions of genes involved in lipogenesis (SCD1, FAS) and cholesterol efflux (ABCA1), but only 22SHC counteracted the up-regulation of SCD1 and FAS by T0901317. Compound 9 and 12 decreased the expression of SCD1, while 9 also decreased the expression of FAS. Compounds 15a showed a significant antagonistic effect on ABCA1 expression, but neither 15a nor 15b were able to counteract the effect of T0901317 on all genes examined. Lipogenesis was increased after T0901317 treatment and only 22SHC significantly counteracted this effect. Treatment with 22SHC and compound 12 reduced lipogenesis compared to control. An increased glucose uptake was observed for all compounds, except for 15b. In summary, the new synthetic 22SHC mimics showed antagonistic effects similar to that of 22SHC, but the new substances were less potent. The sulfonamide 12 showed similar effects to 22SHC and the best effect on gene expression of the new mimics, however, it was not able to reduce the effect of T0901317 as observed for 22SHC. (C) 2014 Elsevier Masson SAS. All rights reserved.
• NOVEL BENZIMIDAZOLE DERIVATIVES
  申请人：BRITISH BIO-TECHNOLOGY LIMITED

  公开号：EP0468971A1

  公开（公告）日：1992-02-05