1-(Benzenesulfonyl)-3-tert-butylurea | 52102-41-7

• 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: 1-(Benzenesulfonyl)-3-tert-butylurea
• CAS: 52102-41-7
• 化学式: C₁₁H₁₆N₂O₃S
• 分子量: 256.326
• InChiKey: UGCLSWRNRSFQBQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  83.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  苯磺酰基叠氮化物 、 异氰酸叔丁酯 在 水 、 nickel dichloride 作用下， 以 乙腈 为溶剂， 以64 %的产率得到1-(Benzenesulfonyl)-3-tert-butylurea
  参考文献：
  名称：

  磺酰叠氮化物、异氰化物和水串联偶联，镍催化温和合成磺酰脲

  摘要：

  通过磺酰叠氮化物、异氰化物和水在水性介质中的镍催化串联偶联，开发了一条高效、温和且新颖的合成磺酰脲的新路线。预计磺酰叠氮化物充当氮烯前体，其在与异氰化物反应时生成碳二亚胺。在此，水充当亲核试剂并与碳二亚胺反应以递送产物。该协议使用廉价的镍催化剂、环保水（作为亲核试剂）和室温，并提供中等至良好收率的产品。

  DOI：

  10.1021/acs.joc.3c00110

文献信息

• HETEROARYL CONTAINING BILE ACID ANALOGS AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US20170240587A1

  公开（公告）日：2017-08-24

  The present invention provides compounds of Formula I, pharmaceutical compositions comprising these compounds and methods of using these compounds to treat or prevent a disease or disorder mediated by FXR and/or TGR5.

  本发明提供了化合物I的化合物，包括这些化合物的药物组合物以及使用这些化合物来治疗或预防由FXR和/或TGR5介导的疾病或紊乱的方法。
• Fused-ring compounds, pharmaceutical composition and uses thereof
  申请人：SHANGHAI DE NOVO PHARMATECH CO., LTD.

  公开号：US10202388B2

  公开（公告）日：2019-02-12

  This disclosure is related to a fused-ring compound of formula (I) and/or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the fused ring compound of formula (I) and/or a pharmaceutically acceptable salt thereof, preparation methods thereof, and use thereof in modulating activity of indoleamine 2, 3-dioxygenase (IDO) and/or tryptophan 2, 3-dioxygenase (TDO). This disclosure further provides methods of treating IDO and/or TDO-associated diseases, including cancer, viral infection and autoimmune diseases.

  本公开涉及一种式(I)的熔环化合物和/或其药学上可接受的盐、一种包含式(I)的熔环化合物和/或其药学上可接受的盐的药物组合物、其制备方法以及其在调节吲哚胺2，3-二氧化酶(IDO)和/或色氨酸2，3-二氧化酶(TDO)活性中的用途。本公开进一步提供了治疗IDO和/或TDO相关疾病的方法，包括癌症、病毒感染和自身免疫性疾病。
• Heteroaryl containing bile acid analogs as FXR/TGR5 agonists and methods of use thereof
  申请人：ENANTA PHARMACEUTICALS, INC.

  公开号：US10323061B2

  公开（公告）日：2019-06-18

  The present invention provides compounds of Formula I, pharmaceutical compositions comprising these compounds and methods of using these compounds to treat or prevent a disease or disorder mediated by FXR and/or TGR5.

  本发明提供了式I化合物、包含这些化合物的药物组合物以及使用这些化合物治疗或预防由FXR和/或TGR5介导的疾病或紊乱的方法。
• Isoxazole Derivatives as FXR Agonists and Methods of Use Thereof
  申请人：Enanta Pharmaceuticals, Inc.

  公开号：US20170333399A1

  公开（公告）日：2017-11-23

  The present invention provides compounds of Formula I: and pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and methods of using these compounds to treat or prevent a disease or disorder mediated by FXR. Specifically, the present invention relates to isoxazole derivatives useful as agonists for FXR and methods for their preparation and use.
• FUSED-RING COMPOUNDS, PHARMACEUTICAL COMPOSITION AND USES THEREOF
  申请人：SHANGHAI DE NOVO PHARMATECH CO., LTD.

  公开号：US20180022752A1

  公开（公告）日：2018-01-25

  This disclosure is related to a fused-ring compound of formula (I) and/or a pharmaceutically acceptable salt thereof, a pharmaceutical composition comprising the fused ring compound of formula (I) and/or a pharmaceutically acceptable salt thereof, preparation methods thereof, and use thereof in modulating activity of indoleamine 2, 3-dioxygenase (IDO) and/or tryptophan 2, 3-dioxygenase (TDO). This disclosure further provides methods of treating IDO and/or TDO-associated diseases, including cancer, viral infection and autoimmune diseases.