N,N-bis(4-methoxybenzyl)-1-phenylmethanesulfonamide | 803727-82-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N,N-bis(4-methoxybenzyl)-1-phenylmethanesulfonamide
• 英文别名: N,N-bis[(4-methoxyphenyl)methyl]-1-phenylmethanesulfonamide
• CAS: 803727-82-4
• 化学式: C₂₃H₂₅NO₄S
• 分子量: 411.522
• InChiKey: ISJGXNUTHUIDAP-UHFFFAOYSA-N

物化性质

• 熔点：
  76-77 °C
• 沸点：
  589.5±60.0 °C(Predicted)
• 密度：
  1.223±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  29
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  64.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N-bis(4-methoxybenzyl)-1-phenylmethanesulfonamide 在 三氟乙酸 作用下， 反应 2.0h， 生成 苯甲磺酰胺
  参考文献：
  名称：

  Synthesis of α-fluoro- and α,α-difluoro-benzenemethanesulfonamides: new inhibitors of carbonic anhydrase

  摘要：

  使用 N-氟双苯磺酰亚胺 (NFSi) 在 N-叔丁基-和 N-双-(4-甲氧基苯基-甲基)-苯甲磺酰胺的碳负离子上，在温和条件下高产率地直接氟化芳烃甲磺酰胺阴离子，从而获得新颖的α-分别为氟代和α,α-二氟苯甲磺酰胺：IC50 和 pKa 数据表明，α-卤化逐渐增强磺酰胺酸度，并与碳酸酐酶抑制作用的增强密切相关，同时亲脂性也增强。

  DOI：

  10.1039/b417327a
• 作为产物：
  描述：

  双-(4-甲氧基苄基)-胺 、 苄磺酰氯 在 4-二甲氨基吡啶 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 以70%的产率得到N,N-bis(4-methoxybenzyl)-1-phenylmethanesulfonamide
  参考文献：
  名称：

  Synthesis of α-Fluorosulfonamides by Electrophilic Fluorination

  摘要：

  alpha-Fluorosulfonamides were prepared by electrophilic fluorination of tertiary sulfonamides using N-fluorobenzenesulfonimide as fluorinating agent and utilizing the dimethoxybenzyl group (DMB) as a new sulfonamide protecting group. Removal of the DMB group with TFA/CH2Cl2 gave primary and secondary alpha-fluorosulfonamides.

  DOI：

  10.1021/ol048249z

文献信息

• [EN] COMPOUNDS THAT INHIBIT MCL-1 PROTEIN<br/>[FR] COMPOSÉS INHIBANT LA PROTÉINE MCL-1
  申请人：AMGEN INC

  公开号：WO2017147410A1

  公开（公告）日：2017-08-31

  Provided herein are myeloid cell leukemia 1 protein (Mcl-1) inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula I, and pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the compounds. The compounds and compositions provided herein may be used, for example, in the treatment of diseases or conditions, such as cancer.

  本文提供了髓样细胞白血病1蛋白（Mcl-1）抑制剂，其制备方法，相关的药物组合物，以及使用这些物质的方法。例如，本文提供了化合物I的公式，及其药用盐和含有这些化合物的药物组合物。本文提供的化合物和组合物可以用于治疗癌症等疾病或症状。
• Sulfonamide carboxamide compounds
  申请人：Inflazome Limited

  公开号：US11518739B2

  公开（公告）日：2022-12-06

  The present invention relates to compounds of formula (I): wherein Q is selected from O or S; R 1 is a saturated or unsaturated, optionally substituted C 1 -C 15 hydrocarbyl group, wherein the atom of R 1 which is attached to the sulfur atom of the sulfonylurea group is not a ring atom of a cyclic group; and R 2 is a cyclic group substituted at the α-position, wherein R 2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP 3 .

  本发明涉及式（I）化合物： 其中 Q 选自 O 或 S；R 1 是饱和或不饱和、任选取代的 C 1 -C 15 烃基，其中 R 1 与磺酰脲基的硫原子相连的 R 1 原子不是环状基团的环原子；以及 R 2 是在α位被取代的环状基团，其中 R 2 可任选被进一步取代。本发明进一步涉及这类化合物的盐、溶液剂和原药，涉及包含这类化合物的药物组合物，涉及这类化合物在治疗和预防医学紊乱和疾病中的用途，特别是通过抑制 NLRP 3 .
• NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS
  申请人：Inflazome Limited

  公开号：US20200216389A1

  公开（公告）日：2020-07-09

  The present invention relates to compounds of formula (I): wherein Q is selected from O or S; R 1 is a saturated or unsaturated, optionally substituted C 1 -C 15 hydrocarbyl group, wherein the atom of R 1 which is attached to the sulfur atom of the sulfonylurea group is not a ring atom of a cyclic group; and R 2 is a cyclic group substituted at the α-position, wherein R may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP 3 .
• COMPOUNDS THAT INHIBIT MCL-1 PROTEIN
  申请人：AMGEN INC.

  公开号：US20210230189A1

  公开（公告）日：2021-07-29

  Provided herein are myeloid cell leukemia 1 protein (Mcl-1) inhibitors, methods of their preparation, related pharmaceutical compositions, and methods of using the same. For example, provided herein are compounds of Formula I, and pharmaceutically acceptable salts thereof and pharmaceutical compositions containing the compounds. The compounds and compositions provided herein may be used, for example, in the treatment of diseases or conditions, such as cancer.
• [EN] NOVEL SULFONAMIDE CARBOXAMIDE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS DE SULFONAMIDE CARBOXAMIDE
  申请人：INFLAZOME LTD

  公开号：WO2019034697A1

  公开（公告）日：2019-02-21

  The present invention relates to compounds of formula (I): wherein Q is selected from O or S; R1 is a saturated or unsaturated, optionally substituted C1-C15 hydrocarbyl group, wherein the atom of R1 which is attached to the sulfur atom of the sulfonylurea group is not a ring atom of a cyclic group; and R2 is a cyclic group substituted at the α-position, wherein R2 may optionally be further substituted. The present invention further relates to salts, solvates and prodrugs of such compounds, to pharmaceutical compositions comprising such compounds, and to the use of such compounds in the treatment and prevention of medical disorders and diseases, most especially by the inhibition of NLRP3.